SCHEMBL9681128

SCHEMBL9681128

O=C(O)C1=CCc2cc(C(=O)O)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ SRD5A2 P31213 4/20 0.49
▸ TDP2 O95551 1/20 0.41
▸ SRD5A1 P18405 3/20 0.41
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ GRM1 Q13255 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL12471893 0.82 ESR2 (0.40) ALDH1A1SRD5A2SRD5A1MEN1KMT2A
SCHEMBL6901141 0.78 SRD5A2 (0.66) ALDH1A1SRD5A2TDP2SRD5A1MAPT
SCHEMBL14044376 0.77 MAPT (0.58) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL30640267 0.77 CYP1A2 (0.39) ALDH1A1SRD5A2SRD5A1MAPTKDM4E
Hydrochloric Acid SCHEMBL8922281 0.77 SRD5A2 (0.63) ALDH1A1SRD5A2TDP2SRD5A1MAPT
SCHEMBL28141355 0.75 ALDH1A1 (0.59) ALDH1A1SRD5A2TDP2SRD5A1MAPT
SCHEMBL11296298 0.75 ALDH1A1 (0.59) ALDH1A1SRD5A2TDP2SRD5A1MAPT
SCHEMBL6907637 0.73 SRD5A2 (0.76) ALDH1A1SRD5A2TDP2SRD5A1MAPT
SCHEMBL19718183 0.73 ALDH1A1 (0.47) ALDH1A1SRD5A2TDP2SRD5A1MAPT
SCHEMBL28294630 0.73 ALDH1A1 (0.47) ALDH1A1SRD5A2TDP2SRD5A1MAPT

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
EP-0508705-A2 Processes for the production of arylene thioether oligomers and copolymers KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-10-14 — — EP disclosed
EP-0107283-B1 UPHOLSTERY SUPPORT MATERIAL MADE OF CROSSED STRANDS OF ORIENTED THERMOPLASTIC ELASTOMER E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-27 — — EP disclosed
EP-0051220-B1 THERMOPLASTIC COPOLYESTER ELASTOMERS MODIFIED WITH SALTS OF ALIPHATIC POLYCARBOXYLIC ACID E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-03-27 — — EP disclosed
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