SCHEMBL8922344

SCHEMBL8922344

O=C(O)c1ccc(Oc2cccc(C(c3cccc(Oc4ccc(C(=O)O)cc4)c3)(C(F)(F)F)C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.53
AKR1C3 P42330 1/20 0.53
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 1/20 0.49
NR4A2 P43354 1/20 0.49
MAPK14 Q16539 1/20 0.47
PARP15 Q460N3 2/20 0.46
PARP10 Q53GL7 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMO O15229 1/20 0.46
TNKS O95271 1/20 0.45
PARP14 Q460N5 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
FAAH O00519 1/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL8922389 0.90 AKR1C3 (0.63) SRD5A2AKR1C3NPC1POLBCYP2C9
SCHEMBL16429183 0.89 AKR1C3 (0.62) SRD5A2AKR1C3NPC1POLBCYP2C9
SCHEMBL693792 0.88 NR4A2 (0.62) SRD5A2AKR1C3NPC1POLBCYP2C9
SCHEMBL30241132 0.85 AKR1C3 (0.66) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL1636273 0.85 AKR1C3 (0.66) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL9740386 0.84 PARP15 (0.55) SRD5A2NR4A2MAPK14PARP15PARP10
SCHEMBL1636048 0.84 PARP15 (0.55) SRD5A2NR4A2MAPK14PARP15PARP10
SCHEMBL29779713 0.84 POLB (0.51) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL1100529 0.84 POLB (0.51) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL9741670 0.81 KDM4E (0.58) SRD5A2AKR1C3NPC1POLBCYP2C9

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-5670084-A Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed
EP-0708149-A1 Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed