SCHEMBL7805555

SCHEMBL7805555

C[C@@H](NC(c1ccc(F)cc1)c1cccc(Nc2c(O)c(=O)c2=O)c1)c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.38
CXCR2 P25025 4/20 0.37
TEAD4 Q15561 2/20 0.36
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PPARA Q07869 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
SCHEMBL7785267 1.00 MAPKAPK2 (0.38) MAPKAPK2CXCR2TEAD4MAPK14MEN1
Hydrochloric Acid SCHEMBL7795475 0.99 MAPKAPK2 (0.38) MAPKAPK2CXCR2TEAD4MAPK14MEN1
SCHEMBL7780525 0.95 MAPKAPK2 (0.42) MAPKAPK2CXCR2TEAD4MAPK14
SCHEMBL7780573 0.94 S1PR3 (0.39) MAPKAPK2CXCR2TEAD4MAPK14THRA
SCHEMBL7785614 0.94 MAPKAPK2 (0.42) MAPKAPK2CXCR2TEAD4MAPK14MEN1
SCHEMBL7785305 0.94 MAPKAPK2 (0.42) MAPKAPK2CXCR2TEAD4MAPK14MEN1
Hydrochloric Acid SCHEMBL7784929 0.94 MAPKAPK2 (0.42) MAPKAPK2CXCR2TEAD4MAPK14
Hydrochloric Acid SCHEMBL7801302 0.93 S1PR3 (0.38) MAPKAPK2CXCR2TEAD4MAPK14THRA
SCHEMBL7780626 0.93 S1PR3 (0.38) MAPKAPK2CXCR2MAPK14MEN1KMT2A
Hydrochloric Acid SCHEMBL7780386 0.93 MAPKAPK2 (0.41) MAPKAPK2CXCR2TEAD4MAPK14MEN1

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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed