SCHEMBL7785139

SCHEMBL7785139

Cc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cccc(Nc3c(O)c(=O)c3=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.40
MAPKAPK2 P49137 10/20 0.37
CXCR2 P25025 3/20 0.35
MAPK14 Q16539 1/20 0.35
TEAD4 Q15561 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
CSF1R P07333 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL7780307 0.99 S1PR3 (0.39) S1PR3MAPKAPK2CXCR2MAPK14TEAD4
SCHEMBL7785672 0.99 S1PR3 (0.39) S1PR3MAPKAPK2CXCR2MAPK14TEAD4
SCHEMBL7785252 0.94 MAPKAPK2 (0.40) MAPKAPK2CXCR2MAPK14TEAD4
SCHEMBL7780322 0.94 CXCR2 (0.38) S1PR3MAPKAPK2CXCR2MAPK14TEAD4
Hydrochloric Acid SCHEMBL7785103 0.93 MAPKAPK2 (0.40) MAPKAPK2CXCR2MAPK14TEAD4
SCHEMBL7789434 0.93 MAPKAPK2 (0.38) S1PR3MAPKAPK2CXCR2MAPK14TEAD4
SCHEMBL7780735 0.93 MAPKAPK2 (0.38) S1PR3MAPKAPK2CXCR2MAPK14TEAD4
Hydrochloric Acid SCHEMBL7803654 0.92 MAPKAPK2 (0.37) S1PR3MAPKAPK2CXCR2MAPK14TEAD4
SCHEMBL7784941 0.92 S1PR3 (0.38) S1PR3MAPKAPK2CXCR2MAPK14CSF1R
SCHEMBL7801400 0.92 S1PR3 (0.38) S1PR3MAPKAPK2CXCR2MAPK14CSF1R

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed