SCHEMBL7780328

SCHEMBL7780328

Cc1ccc(C(NC(C)Nc2ccc(F)c(F)c2)c2cccc(Nc3c(O)c(=O)c3=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
TEAD4 Q15561 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
CXCR2 P25025 5/20 0.34
MAPKAPK2 P49137 6/20 0.33
IDO1 P14902 1/20 0.32
CSF1R P07333 1/20 0.32
TP53 P04637 1/20 0.32
MAPK14 Q16539 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL7787857 1.00 S1PR3 (0.40) S1PR3PGRARTEAD4RAPGEF4
SCHEMBL7785139 0.87 S1PR3 (0.40) S1PR3PGRARTEAD4RAPGEF4
Hydrochloric Acid SCHEMBL7780307 0.87 S1PR3 (0.39) S1PR3PGRARTEAD4RAPGEF4
SCHEMBL7785672 0.87 S1PR3 (0.39) S1PR3PGRARTEAD4RAPGEF4
SCHEMBL7780371 0.85 S1PR3 (0.38) S1PR3PGRARRAPGEF4MAPKAPK2
SCHEMBL7804131 0.84 CXCR2 (0.37) S1PR3PGRARTEAD4CXCR2
SCHEMBL7805351 0.84 CXCR2 (0.37) S1PR3PGRARTEAD4CXCR2
SCHEMBL7780322 0.82 CXCR2 (0.38) S1PR3PGRARTEAD4CXCR2
SCHEMBL7785252 0.81 MAPKAPK2 (0.40) TEAD4CXCR2MAPKAPK2MAPK14
SCHEMBL7787727 0.81 KMT2A (0.42) PGRARTEAD4CXCR2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US claimed
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed