SCHEMBL7774192

SCHEMBL7774192

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.50
USP2 O75604 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 2/20 0.50
PTGS1 P23219 2/20 0.50
RECQL P46063 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50
PKM P14618 3/20 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

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 1.00 SLC7A5 (0.50) SLC7A5USP2KDM4EALOX15PTGS1
SCHEMBL3279504 0.88 SLC7A5 (0.60) SLC7A5USP2KDM4EALOX15PTGS1
SCHEMBL3277307 0.88 SLC7A5 (0.60) SLC7A5USP2KDM4EALOX15PTGS1
SCHEMBL3277300 0.88 SLC7A5 (0.60) SLC7A5USP2KDM4EALOX15PTGS1
SCHEMBL17771944 0.87 SLC7A5 (0.61) SLC7A5USP2KDM4EALOX15PTGS1
SCHEMBL7774169 0.86 USP2 (0.49) SLC7A5USP2KDM4EALOX15PTGS1
SCHEMBL9122965 0.85 PTPRC (0.45) SLC7A5USP2KDM4EALOX15PTGS1
SCHEMBL9122955 0.85 PTPRC (0.45) SLC7A5USP2KDM4EALOX15PTGS1
SCHEMBL13957563 0.83 LDHA (0.50) SLC7A5USP2KDM4EALOX15PTGS1
SCHEMBL13957330 0.83 LDHA (0.50) SLC7A5USP2KDM4EALOX15PTGS1

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