SCHEMBL10712785

SCHEMBL10712785

CSC1C(=O)Nc2c(C)ccc(-c3ccccc3)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ PARP10 Q53GL7 1/20 0.32
▸ PARP11 Q9NR21 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ PDE3B Q13370 2/20 0.31
▸ PDE3A Q14432 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ CYP2A6 P11509 1/20 0.30
▸ CYP2B6 P20813 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MCOLN3 Q8TDD5 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL10711514 0.84 FEN1 (0.34) PTGS2DAOBRD4CREBBPCYP2A6
SCHEMBL10711185 0.77 PPARG (0.34) DAOBRD4
SCHEMBL10711747 0.77 CREBBP (0.43) KDM4EPARP10PARP11BRD4CREBBP
SCHEMBL10714781 0.76 METAP2 (0.35) KDM4EPDE3BPDE3APDE4APDE4B
SCHEMBL10711665 0.74 MEN1 (0.33) PTGS2CYP2A6
SCHEMBL10711888 0.74 BRD4 (0.40) KDM4EPARP10PARP11PTGS2BRD4
SCHEMBL10711636 0.70 CES1 (0.36) DAOBRD4CREBBPALDH1A1L3MBTL1
SCHEMBL10921967 0.69 HTT (0.33) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL10713932 0.69 GABRA1 (0.39) PTGS2PDE3BPDE3APDE4APDE4B
SCHEMBL11368672 0.69 DAO (0.40) DAOCREBBPALDH1A1MAPT

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-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 — — US disclosed
EP-0089426-B1 2-AMINO-6-BIPHENYLACETIC ACIDS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-06-11 — — EP disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 — — US disclosed
EP-0089426-A1 2-Amino-6-biphenylacetic acids A.H. ROBINS COMPANY, INCORPORATED (US) 1983-09-28 — — EP disclosed
US-4333951-A MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INC. (US) 1982-06-08 — — US disclosed
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