SCHEMBL9724249

SCHEMBL9724249

Cc1ccc(C(=O)c2ccc(CC(N)=O)n2C)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.76
CXCL8 P10145 1/20 0.76
AKR1B1 P15121 1/20 0.76
PTGS1 P23219 1/20 0.76
GLO1 Q04760 1/20 0.76
HPGD P15428 1/20 0.72
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SRD5A2 P31213 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ABCB11 O95342 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 1/20 0.35

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
Ethyl Acetate SCHEMBL9724261 0.90 CXCL8 (0.62) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL2238865 0.87 PTGS2 (0.57) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11807843 0.86 CXCL8 (0.60) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL11325188 0.86 PTGS2 (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL3150 0.86 PTGS2 (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL12608965 0.86 PTGS2 (0.78) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL29461 0.85 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL11486460 0.85 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL28562007 0.85 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL5980424 0.85 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4210963-A None JP disclosed
EP-4272761-A2 COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS Medicon Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
JP-H04210963-A PYRROLACETIC AMIDE SIGMA TAU IND FARMACEUT RIUNITE SPA 1992-08-03 JP disclosed
US-4882349-A ANALGESICS, ANTIPYRETICS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 1989-11-21 US disclosed
US-4578481-A ANALGESICS; ANTIPYRETIC, ANTITUSSIVE, AND ANTISECRETORY AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1986-03-25 US disclosed
US-3998844-A WITH AN AROYL CHLORIDE TO FORM A 5-AROYL-1-ALKYLPYRROLE-2-ACETIC ACID DERIVATIVE MCNEIL LABORATORIES, INCORPORATED (US) 1976-12-27 US disclosed