SCHEMBL7522882

SCHEMBL7522882

CCCSC(C(N)=O)c1cccc(C(=O)c2ccc(F)cc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
ADORA1 P30542 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL1569351 0.90 GAA (0.40) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL7529565 0.89 NR4A1 (0.38) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL10949953 0.84 EPHX1 (0.34) EPHX1
SCHEMBL30692375 0.73 MAPT (0.45) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL1569324 0.73 MAPT (0.45) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL16340488 0.72 MAPT (0.39) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL1569026 0.71 MAPT (0.43) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL10397028 0.71 LMNA (0.42) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL4840898 0.70 AGTR1 (0.47) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL1569323 0.69 MAPT (0.44) EPHX1ABCB11LMNAPTGS1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716600-B1 TOPICALLY ADMINISTRABLE COMPOSITIONS CONTAINING 3-BENZOYLPHENYLACETIC ACID DERIVATIVES FOR TREATMENT OF OPHTHALMIC INFLAMMATORY DISORDERS ALCON LAB INC (US) 2002-04-03 EP claimed
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
US-5475034-A Adminstering 3-benzoylphenylacetamide derivatives ALCON LABORATORIES, INC. (US) 1995-12-12 US claimed
EP-0716600-B1 TOPICALLY ADMINISTRABLE COMPOSITIONS CONTAINING 3-BENZOYLPHENYLACETIC ACID DERIVATIVES FOR TREATMENT OF OPHTHALMIC INFLAMMATORY DISORDERS ALCON LAB INC (US) 2002-04-03 EP disclosed
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 disclosed
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 disclosed
US-5475034-A Adminstering 3-benzoylphenylacetamide derivatives ALCON LABORATORIES, INC. (US) 1995-12-12 US disclosed
US-4313949-A Method of producing an inhibitory effect on blood platelet aggregation A. H. ROBINS COMPANY, INC. (US) 1982-02-02 US disclosed