SCHEMBL8990053

SCHEMBL8990053

NC(=O)Cc1cccc(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.49
▸ CTSK P43235 1/20 0.49
▸ NPC1 O15118 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ GRIN2B Q13224 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.41

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
SCHEMBL8990054 0.84 L3MBTL1 (0.46) NPC1MAPK1ATMTDP1L3MBTL1
SCHEMBL11493619 0.81 MEP1B (0.46) CTSLCTSKNPC1TSHRMAPK1
SCHEMBL209624 0.79 ATM (0.67) CTSLCTSKATMTDP1L3MBTL1
SCHEMBL24600380 0.78 MAPK14 (0.44) CTSLCTSKNPC1ATMTDP1
SCHEMBL2029757 0.78 MAPK8 (0.52) PARP1
SCHEMBL3054667 0.78 PARP1 (0.53) TSHRTDP1L3MBTL1PARP1F10
SCHEMBL4234448 0.76 FOLH1 (0.61) —
SCHEMBL17950520 0.76 ATM (0.75) CTSLCTSKNPC1ATMTDP1
SCHEMBL3038873 0.76 CES2 (0.63) CTSLCTSKTSHRATMTDP1
SCHEMBL10339219 0.75 CA2 (0.54) NPC1MAPK1ALDH1A1GRIN2B

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
EP-0716600-A1 TOPICALLY ADMINISTRABLE COMPOSITIONS CONTAINING 3-BENZOYLPHENYLACETIC ACID DERIVATIVES FOR TREATMENT OF OPHTHALMIC INFLAMMATORY DISORDERS ALCON LABORATORIES, INC. (US) 1996-06-19 — — EP claimed
WO-1995033457-A1 TOPICALLY ADMINISTRABLE COMPOSITIONS CONTAINING 3-BENZOYLPHENYLACETIC ACID DERIVATIVES FOR TREATMENT OF OPHTHALMIC INFLAMMATORY DISORDERS ALCON LABORATORIES, INC. (US) 1995-12-14 — — WO claimed
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