SCHEMBL7774169

SCHEMBL7774169

CCc1ccc(F)c(C[C@H](N)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.49
PKM P14618 3/20 0.49
ALOX15 P16050 2/20 0.49
HIF1A Q16665 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
RGS12 O14924 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
CASP1 P29466 1/20 0.49
BRCA1 P38398 1/20 0.49
THPO P40225 1/20 0.49
CASP7 P55210 1/20 0.49
GNAI1 P63096 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL8767597 0.86 SLC7A5 (0.50) USP2PKMALOX15HIF1AHSD17B10
SCHEMBL7774192 0.86 SLC7A5 (0.50) USP2PKMALOX15HIF1AHSD17B10
SCHEMBL17771944 0.83 SLC7A5 (0.61) USP2PKMALOX15HIF1AHSD17B10
SCHEMBL3611360 0.81 KDM4E (0.51) USP2PKMALOX15HIF1AHSD17B10
SCHEMBL188142 0.81 USP2 (0.54) USP2PKMALOX15HIF1AHSD17B10
SCHEMBL29430355 0.81 USP2 (0.54) USP2PKMALOX15HIF1AHSD17B10
SCHEMBL188143 0.81 USP2 (0.54) USP2PKMALOX15HIF1AHSD17B10
SCHEMBL15130503 0.80 ALOX15 (0.57) USP2PKMALOX15HIF1AHSD17B10
SCHEMBL322219 0.80 ALOX15 (0.57) USP2PKMALOX15HIF1AHSD17B10
SCHEMBL15130505 0.80 ALOX15 (0.57) USP2PKMALOX15HIF1AHSD17B10

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-1115700-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AG (DE) 2001-07-18 EP disclosed
WO-2000017157-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed