SCHEMBL6919972

SCHEMBL6919972

CC(=O)Nc1ccc(-c2cc3c(C(=O)Nc4ccc(C#N)cc4C(=O)O)noc3cc2OC(C)C)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
RORC P51449 2/20 0.32
DHODH Q02127 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ALB P02768 2/20 0.31
MAP2K1 Q02750 1/20 0.31
RAPGEF3 O95398 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
RAF1 P04049 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
SCHEMBL6817481 0.92 S1PR1 (0.36) TP53POLBMAPTS1PR1RORC
SCHEMBL6818304 0.90 S1PR1 (0.37) TP53POLBMAPTS1PR1RORC
SCHEMBL6819011 0.89 RORC (0.33) RXFP1TP53POLBMAPTS1PR1
SCHEMBL6818889 0.89 EGLN2 (0.34) TP53POLBMAPTS1PR1S1PR3
SCHEMBL6833954 0.88 RORC (0.35) RXFP1TP53POLBMAPTS1PR1
SCHEMBL6822026 0.88 EGLN2 (0.35) TP53POLBMAPTS1PR1S1PR3
SCHEMBL6818246 0.87 TP53 (0.34) TP53POLBMAPTS1PR1S1PR3
SCHEMBL6818778 0.87 PDE10A (0.37) RXFP1TP53POLBMAPTS1PR1
SCHEMBL6818600 0.86 TP53 (0.34) TP53POLBMAPTS1PR1S1PR3
SCHEMBL6818406 0.86 RORC (0.34) TP53POLBMAPTS1PR1S1PR3

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