SCHEMBL10713397

SCHEMBL10713397

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ KDM4E B2RXH2 1/20 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
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ CYP2A6 P11509 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
SCHEMBL10712785 0.89 KDM4E (0.33) BRD4CREBBPKDM4EPARP10PARP11
SCHEMBL10711185 0.86 PPARG (0.34) BRD4PPARG
SCHEMBL10711514 0.79 FEN1 (0.34) BRD4CREBBPPTGS2CYP2A6
SCHEMBL10711665 0.77 MEN1 (0.33) PTGS2MAOACYP2A6
SCHEMBL10711888 0.77 BRD4 (0.40) BRD4CREBBPKDM4EPARP10PARP11
SCHEMBL10714781 0.76 METAP2 (0.35) BRD4CREBBPKDM4EPDE3BPDE3A
SCHEMBL10711747 0.74 CREBBP (0.43) BRD4CREBBPKDM4EPARP10PARP11
SCHEMBL10713260 0.73 MAOA (0.33) BRD4CREBBPMAOAMAOB
SCHEMBL10921967 0.69 HTT (0.33) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL10713932 0.69 GABRA1 (0.39) PTGS2PDE3BPDE3APDE4APDE4B

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 2 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
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
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