SCHEMBL6860158

SCHEMBL6860158

O=C(c1ccc(Oc2cccc(C(=O)c3cccc(Cl)c3)c2)cc1)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.57
PARP15 Q460N3 1/20 0.57
PARP14 Q460N5 1/20 0.57
PARP10 Q53GL7 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
SRD5A2 P31213 2/20 0.53
AKR1C3 P42330 1/20 0.53
POLB P06746 1/20 0.53
KMO O15229 1/20 0.53
STS P08842 4/20 0.51
NAAA Q02083 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
PARP1 P09874 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3677325 0.95 SRD5A2 (0.53) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL6521756 0.94 SRD5A2 (0.62) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL6518277 0.92 PARP14 (0.58) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL2868057 0.86 SRD5A2 (0.70) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL30643036 0.86 SRD5A2 (0.70) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL26624059 0.86 SRD5A2 (0.70) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL9503707 0.86 MAPK1 (0.53) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL14191212 0.85 SRD5A2 (0.58) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL13250810 0.85 SRD5A2 (0.58) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL14191218 0.85 SRD5A2 (0.58) TNKSPARP15PARP14PARP10TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812290-B2 FOR USE AS ELECTROLYTES JSR CORPORATION (JP) 2004-11-02 US disclosed
US-20030195301-A1 Polyarylene copolymers and proton-conductive membrane JSR CORPORATION (JP) 2003-10-16 US disclosed
US-6555626-B2 Controlled amount of sulfonic acid groups; copolymer of an aromatic compound having a main chain containing electron withdrawing groups and aromatic compounds with no electron withdrawing groups; durability, strength, conductivity JSR CORPORATION (JP) 2003-04-29 US disclosed
US-20010037000-A1 Polyarylene copolymers and proton-conductive membrane JSR CORPORATION (JP) 2001-11-01 US disclosed
EP-1138712-A2 Polyarylene copolymers and proton-conductive membrane JSR Corporation (JP) 2001-10-04 EP disclosed