SCHEMBL8042274

SCHEMBL8042274

O=C(O)c1c(C(=O)OC(=O)c2c(C(=O)O)c3ccc4ccc5ccc6ccc7ccc2c2c7c6c5c4c32)c2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
GLA P06280 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2C19 P33261 1/20 0.34
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22440163 0.88 ALDH1A1 (0.42) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL9167861 0.88 KMT2A (0.41) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL4944355 0.88 KMT2A (0.41) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL11928220 0.82 KMT2A (0.38) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL9618164 0.82 KMT2A (0.38) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL28471302 0.80 KMT2A (0.36) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL9429858 0.75 ALDH1A1 (0.34) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL7101315 0.74 ALDH1A1 (0.52) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL6392099 0.74 KDM4E (0.47) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL1225727 0.74 KDM4E (0.47) KMT2AMEN1KDM4EALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120271003-A1 Block Copolymers As Thermoplastic Elastomers Made Of Polyisobutene Blocks And Oligoamide Blocks BASF SE (DE) 2012-10-25 US disclosed
US-6150414-A INHIBITING A VIRUS CAUSING INFECTION (SUCH AS HIV) BY ADMINISTERING THE COMPOUND 1,3,4,6-TETRAHYDROXY-7,16-DIOXO-7,16-DIHYDRO-DIBENZO(A,O)PERYLENE NEW YORK UNIVERSITY (US) 2000-11-21 US disclosed
US-6037476-A Process for making cyclic imides ALBEMARLE CORPORATION (US) 2000-03-14 US disclosed
US-4980452-A Thermosettable prepolymers prepared from heterocyclic materials having alkyl substituents, mono- or dianhydrides, ethylenically unsaturated materials and a hydroxide, carbonate or bicarbonate of a metal of Groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1990-12-25 US disclosed
WO-1990010438-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS NEW YORK UNIVERSITY (US) 1990-09-20 WO disclosed
US-4927913-A Cured product from thermosettable prepolymer prepared from heterocyclic materials having alkyl substituents, mono- or dianhydrides, ethylenically unsaturated materials and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1990-05-22 US disclosed
US-4847355-A Thermosettable prepolymer prepared from heterocyclic material having alkyl substituents, mono- or dianhydride, ethylenically unsaturated material and a hydroxide, carbonate of bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
US-4812531-A Thermosettable polymers or prepolymers prepared from heterocyclic materials having alkyl substituents, mono- or dianhydrides, ethylenically unsaturated materials and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1989-03-14 US disclosed
US-4752636-A Thermosettable polymer or prepolymer prepared from heterocyclic materials containing nitrogen atoms, carboxylic acid mono- or dianhydrides and a polymerizable material with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1988-06-21 US disclosed
US-4684693-A Thermosettable polymer or prepolymer prepared from heterocyclic materials containing a nitrogen atom and carboxylic acid mono- or dianhydride with N,N'-bis-imide THE DOW CHEMICAL COMPANY (US) 1987-08-04 US disclosed
US-4668767-A Thermosettable polymer or prepolymer prepared from heterocyclic material containing a nitrogen atom and carboxylic acid mono- or dianhydride THE DOW CHEMICAL COMPANY (US) 1987-05-26 US disclosed
US-4654414-A Thermosettable polymer or prepolymer prepared from heterocyclic material having alkyl substituent, mono- or dianhydride, ethylenically unsaturated material and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1987-03-31 US disclosed