SCHEMBL7302384

SCHEMBL7302384

COc1ccc(C[C@H](N)C(=O)O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
THRB P10828 3/20 0.45
USP2 O75604 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
RGS12 O14924 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
CASP1 P29466 1/20 0.45
BRCA1 P38398 1/20 0.45
THPO P40225 1/20 0.45
CASP7 P55210 1/20 0.45
GNAI1 P63096 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LDHA P00338 1/20 0.45

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
SCHEMBL20397701 0.87 MEN1 (0.43) HTTMEN1KMT2APOLBCYP3A4
SCHEMBL9847992 0.87 THRB (0.46) THRBUSP2MEN1KMT2APOLB
SCHEMBL9847986 0.87 THRB (0.46) THRBUSP2MEN1KMT2APOLB
SCHEMBL13957558 0.85 HSD17B10 (0.45) THRBUSP2MEN1KMT2APOLB
SCHEMBL29519833 0.85 HSD17B10 (0.49) THRBUSP2MEN1KMT2APOLB
SCHEMBL21803856 0.84 THRA (0.47) THRBUSP2MEN1KMT2ARGS12
Hydrochloric Acid SCHEMBL8862614 0.84 HSD17B10 (0.48) USP2MEN1KMT2ARGS12CYP3A4
SCHEMBL7997958 0.84 USP2 (0.44) THRBUSP2MEN1KMT2APOLB
SCHEMBL1571537 0.84 PCNA (0.51) THRBUSP2MEN1KMT2ARGS12
SCHEMBL1571535 0.84 PCNA (0.51) THRBUSP2MEN1KMT2ARGS12

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-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed