SCHEMBL8894401

SCHEMBL8894401

COC(=O)C(Cl)Cc1cc(C[C@H](N)C(=O)O)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
RGS12 O14924 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
THPO P40225 1/20 0.40
CASP7 P55210 1/20 0.40
GNAI1 P63096 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL28398954 0.77 DPP4 (0.49) ALDH1A1HPGDCYP3A4LMNAMAPT
SCHEMBL8894054 0.73 SLC7A5 (0.39) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL25471325 0.72 ALOX15 (0.58) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL24476977 0.72 USP2 (0.50) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL13005317 0.71 DPP4 (0.56) ALDH1A1DPP4
SCHEMBL28007874 0.71 DPP4 (0.56) ALDH1A1DPP4
SCHEMBL14960659 0.70 USP2 (0.59) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL29351621 0.70 USP2 (0.59) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL343782 0.70 USP2 (0.59) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL1818169 0.70 USP2 (0.59) USP2CYP2C9ALOX15HSD17B10MEN1

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-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed