SCHEMBL8007440

SCHEMBL8007440

N[C@@H](Cc1cc(F)ccc1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.51
PKM P14618 2/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
HIF1A Q16665 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
RECQL P46063 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
RGS12 O14924 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
CASP1 P29466 1/20 0.51
BRCA1 P38398 1/20 0.51
THPO P40225 1/20 0.51
CASP7 P55210 1/20 0.51
GNAI1 P63096 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL30231991 0.87 USP2 (0.51) USP2PKMCYP3A4ALOX15HIF1A
SCHEMBL30152143 0.87 USP2 (0.51) USP2PKMCYP3A4ALOX15HIF1A
SCHEMBL29398382 0.83 CYP2C9 (0.51) USP2PKMCYP3A4ALOX15HIF1A
SCHEMBL21690291 0.83 CYP2C9 (0.51) USP2PKMCYP3A4ALOX15HIF1A
SCHEMBL188143 0.83 USP2 (0.54) USP2PKMCYP3A4ALOX15HIF1A
SCHEMBL29398451 0.83 CYP2C9 (0.51) USP2PKMCYP3A4ALOX15HIF1A
SCHEMBL188142 0.83 USP2 (0.54) USP2PKMCYP3A4ALOX15HIF1A
SCHEMBL29430355 0.83 USP2 (0.54) USP2PKMCYP3A4ALOX15HIF1A
SCHEMBL25177948 0.81 USP2 (0.47) USP2PKMCYP3A4ALOX15HIF1A
SCHEMBL22410265 0.81 USP2 (0.47) USP2PKMCYP3A4ALOX15HIF1A

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
WO-2000015606-A1 SUBSTITUTED N-ARYL-O-ALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-23 WO claimed