SCHEMBL7785305

SCHEMBL7785305

C[C@@H](NC(c1ccc(F)cc1)c1cccc(Nc2c(O)c(=O)c2=O)c1)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.42
TEAD4 Q15561 2/20 0.37
MTOR P42345 1/20 0.37
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
KCNK3 O14649 1/20 0.36
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
MAPK14 Q16539 1/20 0.35
PTGER4 P35408 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL7785614 1.00 MAPKAPK2 (0.42) MAPKAPK2TEAD4MTORCXCR1CXCR2
Hydrochloric Acid SCHEMBL7780386 0.99 MAPKAPK2 (0.41) MAPKAPK2TEAD4MTORCXCR1CXCR2
SCHEMBL7787894 0.95 MAPKAPK2 (0.47) MAPKAPK2TEAD4MTORCXCR1CXCR2
SCHEMBL7787572 0.94 MAPKAPK2 (0.41) MAPKAPK2TEAD4MTORCXCR1CXCR2
Hydrochloric Acid SCHEMBL7785463 0.94 MAPKAPK2 (0.46) MAPKAPK2TEAD4MTORCXCR1CXCR2
SCHEMBL7785267 0.94 MAPKAPK2 (0.38) MAPKAPK2TEAD4CXCR2MAPK14MEN1
SCHEMBL7805555 0.94 MAPKAPK2 (0.38) MAPKAPK2TEAD4CXCR2MAPK14MEN1
Trifluoroacetic Acid SCHEMBL7780339 0.93 MAPKAPK2 (0.42) MAPKAPK2TEAD4MTORCXCR1CXCR2
SCHEMBL7787803 0.93 MAPKAPK2 (0.40) MAPKAPK2TEAD4MTORCXCR1CXCR2
Hydrochloric Acid SCHEMBL7795475 0.93 MAPKAPK2 (0.38) MAPKAPK2TEAD4CXCR2MAPK14MEN1

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
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