SCHEMBL371305

SCHEMBL371305

Cc1ccccc1[C@@](C/C=N/O)(c1ccc(-c2ccc(C(=O)O)cc2)cc1)c1cc(F)ncc1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
PLAU P00749 1/20 0.33
EPHX2 P34913 1/20 0.32
SSTR5 P35346 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
PDK2 Q15119 1/20 0.32
BCL2 P10415 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
MAPK3 P27361 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL371307 1.00 MAP4K4 (0.34) MAP4K4GPBAR1PLAUEPHX2SSTR5
SCHEMBL364586 0.86 GPBAR1 (0.34) MAP4K4GPBAR1EPHX2TRPM8PDK2
SCHEMBL364370 0.80
SCHEMBL370899 0.80 GPBAR1 (0.38) GPBAR1EPHX2BCL2RXRARXRB
SCHEMBL370897 0.80 GPBAR1 (0.38) GPBAR1EPHX2BCL2RXRARXRB
SCHEMBL365204 0.73 FFAR1 (0.31)
SCHEMBL364577 0.70 CYP19A1 (0.32)
SCHEMBL362947 0.68
SCHEMBL362407 0.68 KMT2A (0.32)
SCHEMBL363380 0.67 KIF11 (0.32)

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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed