SCHEMBL7076105

SCHEMBL7076105

C=C(C)C(=O)Oc1ccc2c3ccccc3n(OC(=O)C(=C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.37
PSEN1 P49768 9/20 0.35
PSEN2 P49810 9/20 0.35
APH1B Q8WW43 9/20 0.35
NCSTN Q92542 9/20 0.35
APH1A Q96BI3 9/20 0.35
PSENEN Q9NZ42 9/20 0.35
SRC P12931 1/20 0.34
PTPN1 P18031 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7073898 0.86 POLB (0.48) ELANEPOLBSRCMAPTHPGD
SCHEMBL13609811 0.78 KDM4E (0.57) ELANEKMT2AATMPOLBSRC
SCHEMBL27609722 0.75 NPSR1 (0.54) KMT2APOLBMAPTHPGDNPSR1
SCHEMBL16218436 0.75 KMT2A (0.48) ELANEKMT2AATMPOLBPTPN1
SCHEMBL15457950 0.75 ELANE (0.54) ELANEKMT2AATMPOLBPTPN1
SCHEMBL14907505 0.73 ALDH1A1 (0.51) ELANEKMT2AATMMAPTHPGD
SCHEMBL12200970 0.72 KMT2A (0.50) ELANEKMT2AATMPOLBPTPN1
SCHEMBL2509761 0.72 KMT2A (0.41) ELANEKMT2AATMPOLBPTPN1
SCHEMBL28989640 0.72 ELANE (0.53) ELANEKMT2AATMMAPTHPGD
SCHEMBL7076131 0.71 KIF11 (0.52) ELANEKMT2AMAPTHPGDKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030096172-A1 Hologram recording material composition and hologram recording medium DAISO CO., LTD. (JP) 2003-05-22 US disclosed