SCHEMBL7822013

SCHEMBL7822013

O=C(O)c1ccc(Oc2ccc(C(=O)c3ccc4c(c3)C(=O)OC4=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 9/20 0.61
ENPP2 Q13822 1/20 0.54
POLB P06746 1/20 0.49
CA2 P00918 2/20 0.48
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA7 P43166 3/20 0.46
CA4 P22748 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
CA9 Q16790 1/20 0.43

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
SCHEMBL17878211 0.91 POLB (0.48) SRD5A2ENPP2POLBCA2PARP15
SCHEMBL9062200 0.91 SRD5A2 (0.54) SRD5A2ENPP2CA2CA12CA1
SCHEMBL31065558 0.89 SRD5A2 (0.53) SRD5A2POLBCA2PARP15PARP10
SCHEMBL9008360 0.89 SRD5A2 (0.53) SRD5A2POLBCA2PARP15PARP10
SCHEMBL10704760 0.88 SRD5A2 (0.50) SRD5A2ENPP2POLBCA2PARP15
SCHEMBL27356295 0.84 CA12 (0.50) SRD5A2CA2CA12CA1CA7
SCHEMBL1271059 0.82 TDP1 (0.55) SRD5A2CA2CA12CA1CA7
SCHEMBL169521 0.82 CA12 (0.51) ENPP2CA2CA12CA1CA7
SCHEMBL9328144 0.81 CA12 (0.50) SRD5A2ENPP2POLBCA2CA12
SCHEMBL21050604 0.81 PARP10 (0.45) SRD5A2ENPP2POLBCA2PARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230032881-A1 ACTIVE ENERGY RAY POLYMERIZATION INITIATOR, ACTIVE ENERGY RAY CURING COMPOSITION, ACTIVE ENERGY RAY CURING INK, AQUEOUS ACTIVE ENERGY RAY CURING INK, CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, AND METHOD OF MANUFACTURING ACTIVE ENERGY RAY POLYMERIZATION INITIATOR RICOH COMPANY, LTD. (JP) 2023-02-02 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed