SCHEMBL9360946

SCHEMBL9360946

CCC(C(=O)O)N(C(=O)Cc1ccc(F)cc1)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.50
TDP1 Q9NUW8 3/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.38
CCR5 P51681 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL9360756 0.85 TDP1 (0.48) TDP1POLBAPEX1MEN1KMT2A
SCHEMBL9357294 0.84 TSHR (0.42) TRPM8TDP1MEN1KMT2ATSHR
SCHEMBL9357000 0.83 ALDH1A1 (0.42) TRPM8POLBMEN1KMT2ATSHR
SCHEMBL9360750 0.80 TDP1 (0.49) TDP1POLBAPEX1MEN1KMT2A
SCHEMBL9357323 0.80 OPRK1 (0.46) TRPM8POLBMEN1KMT2ACYP3A4
SCHEMBL9357340 0.78 CTBP2 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL6136604 0.77 LMNA (0.41) TRPM8TDP1MEN1KMT2ACYP3A4
SCHEMBL9357319 0.75 TDP1 (0.41) TDP1POLBAPEX1MEN1KMT2A
SCHEMBL9361003 0.73 NPY5R (0.43) MEN1KMT2ACCR5CNR2
SCHEMBL9483734 0.72 TRPM8 (0.54) TRPM8TDP1POLBAPEX1MEN1

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-0415185-B1 4-Alkoxy- and 4-(substituted)amino-3-arylpyrrolinones derivatives BAYER AG (DE) 1994-12-07 EP disclosed