Sugi Predict

Sugi Predict / Compounds / SCHEMBL7699196

SCHEMBL7699196

SCHEMBL7699196

CCCCCCC(CCn1c(CC)nc(-c2ccccc2)cc1=O)NC(=O)c1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 7/20 0.38
▸ CTSG P08311 4/20 0.38
▸ CMA1 P23946 4/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ CTRB1 P17538 2/20 0.38
▸ TACR3 P29371 1/20 0.36

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
SCHEMBL4851283 0.83 PPARA (0.42) PPARAPPARG
SCHEMBL4850899 0.82 TLR7 (0.41) PPARAPPARG
SCHEMBL4861486 0.79 PPARA (0.44) PPARAPPARG
SCHEMBL4856384 0.75 KAT2B (0.45) PPARAPPARG
SCHEMBL4853835 0.75 PPARA (0.46) PPARAPPARG
SCHEMBL4851012 0.74 PPARG (0.41) PPARAPPARG
SCHEMBL4852513 0.73 PPARA (0.49) PPARAPPARG
SCHEMBL7150941 0.72 MEN1 (0.39) PPARAPPARG
SCHEMBL4859287 0.70 PPARG (0.48) PPARAPPARG
SCHEMBL4850624 0.69 PPARA (0.41) PPARA

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
WO-2002081454-A1 DERIVATIVES OF ARYL ACIDS, THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2002-10-17 — — WO claimed
WO-2002081454-A1 DERIVATIVES OF ARYL ACIDS, THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2002-10-17 — — WO disclosed