SCHEMBL6822667

SCHEMBL6822667

CCC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccc(NC(C)=O)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.37
PPARG P37231 1/20 0.32
AR P10275 2/20 0.32
CETP P11597 1/20 0.32
MAP2K1 Q02750 1/20 0.32
ALB P02768 2/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL6819469 0.95 RORC (0.36) RORCPPARGARCETPMAP2K1
SCHEMBL6833954 0.92 RORC (0.35) RORCMAP2K1ALBS1PR1S1PR3
SCHEMBL6821790 0.91 RORC (0.35) RORCARCETPALBS1PR1
SCHEMBL6818246 0.91 TP53 (0.34) RORCARCETPMAP2K1ALB
SCHEMBL6821982 0.89 TP53 (0.34) RORCARCETPALBS1PR1
SCHEMBL6818889 0.89 EGLN2 (0.34) RORCMAP2K1ALBS1PR1S1PR3
SCHEMBL6819036 0.89 RORC (0.35) RORCPPARGARCETPMAP2K1
SCHEMBL6818600 0.89 TP53 (0.34) RORCARCETPMAP2K1ALB
SCHEMBL6822026 0.88 EGLN2 (0.35) RORCMAP2K1ALBS1PR1S1PR3
SCHEMBL6818601 0.88 DHODH (0.33) ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed