SCHEMBL4305136

SCHEMBL4305136

COc1cc(C)c(P(c2c(C)cc(OC)cc2C)c2c(C)cc(OC)cc2C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 4/20 0.42
HPGD P15428 2/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
FFAR4 Q5NUL3 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PTPN1 P18031 2/20 0.36
ACHE P22303 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2C8 P10632 1/20 0.34

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
SCHEMBL5596181 0.75 PTPN1 (0.42) ALDH1A1CYP3A4HPGDFFAR4CA1
SCHEMBL2633660 0.75 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL12326164 0.75 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL180252 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL3765104 0.73 NQO1 (0.44) ALDH1A1CYP3A4HPGDKMT2AMEN1
SCHEMBL2955343 0.72 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL3296955 0.72 RAPGEF4 (0.50) ALDH1A1FFAR4CA12CA1CA2
SCHEMBL31325535 0.72 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
Bromide SCHEMBL20424457 0.72 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL301709 0.71 RAPGEF4 (0.43) ALDH1A1FFAR4CA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084130-B2 Epoxy resin molding material for sealing and electronic component device HITACHI CHEMICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20090326100-A1 EPOXY RESIN MOLDING MATERIAL FOR SEALING AND ELECTRONIC COMPONENT DEVICE HITACHI CHEMICAL CO., LTD. (JP) 2009-12-31 US disclosed