SCHEMBL2868057

SCHEMBL2868057

O=C(c1ccc(Oc2ccc(C(=O)c3cccc(Oc4ccccc4)c3)cc2)cc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.70
AKR1C3 P42330 1/20 0.70
POLB P06746 1/20 0.68
PARP10 Q53GL7 2/20 0.64
TNKS O95271 1/20 0.64
PARP15 Q460N3 1/20 0.64
PARP14 Q460N5 1/20 0.64
TNKS2 Q9H2K2 1/20 0.64
PARP2 Q9UGN5 1/20 0.64
HDAC8 Q9BY41 1/20 0.62
ATM Q13315 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
STS P08842 2/20 0.58
NPC1 O15118 1/20 0.58
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
ELANE P08246 1/20 0.55

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
SCHEMBL30643036 1.00 SRD5A2 (0.70) SRD5A2AKR1C3POLBPARP10TNKS
SCHEMBL26624059 1.00 SRD5A2 (0.70) SRD5A2AKR1C3POLBPARP10TNKS
SCHEMBL30057548 0.96 AKR1C3 (0.75) SRD5A2AKR1C3POLBPARP10TNKS
SCHEMBL11002454 0.96 AKR1C3 (0.75) SRD5A2AKR1C3POLBPARP10TNKS
SCHEMBL26624065 0.94 SRD5A2 (0.72) SRD5A2AKR1C3POLBPARP10TNKS
SCHEMBL10593556 0.94 SRD5A2 (0.72) SRD5A2AKR1C3POLBPARP10TNKS
SCHEMBL1081660 0.94 SRD5A2 (0.72) SRD5A2AKR1C3POLBPARP10TNKS
SCHEMBL8897485 0.94 AKR1C3 (0.78) SRD5A2AKR1C3POLBPARP10TNKS
SCHEMBL10974054 0.91 AKR1C3 (0.64) SRD5A2AKR1C3POLBPARP10TNKS
SCHEMBL10497003 0.91 AKR1C3 (0.79) SRD5A2AKR1C3POLBPARP10TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754844-B2 Polyarylene ether compound containing sulfonic acid group, composition containing same, and method for manufacturing those TOYO BOSEKI KABUSHIKI KAISHA (JP) 2010-07-13 US disclosed
EP-1561768-B1 POLYARYLENE ETHER COMPOUND CONTAINING SULFONIC ACID GROUP, COMPOSITION CONTAINING SAME, AND METHOD FOR MANUFACTURING THOSE TOYO BOSEKI (JP) 2009-09-30 EP disclosed
US-20060166048-A1 Polyarylene ether compound containing sulfonic acid group, composition containing same, and method for manufacturing those TOYO BOSEKI KABUSHIKI KAISHA (JP) 2006-07-27 US disclosed
EP-1561768-A1 POLYARYLENE ETHER COMPOUND CONTAINING SULFONIC ACID GROUP, COMPOSITION CONTAINING SAME, AND METHOD FOR MANUFACTURING THOSE Toyo Boseki Kabushiki Kaisha (JP) 2005-08-10 EP disclosed