SCHEMBL7414498

SCHEMBL7414498

CC(C)(C)OC(=O)N1C[C@H](Br)C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
NR1H2 P55055 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTRA1 Q92743 1/20 0.37
BTK Q06187 1/20 0.36
HSD11B1 P28845 1/20 0.35
ELANE P08246 1/20 0.35
UCHL1 P09936 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL7414502 1.00 HSD17B10 (0.43) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL30768193 1.00 HSD17B10 (0.43) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL29063180 1.00 HSD17B10 (0.43) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL24113423 0.87 NR1H2 (0.40) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL29063175 0.87 NR1H2 (0.40) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL29063178 0.87 NR1H2 (0.40) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL25929622 0.84 HSD17B10 (0.48) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL2273886 0.84 HSD17B10 (0.48) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL2251657 0.84 MMP2 (0.43) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL31567936 0.84 MMP2 (0.43) HSD17B10NR1H2CHRM2CHRM1CHRM3

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
US-4501901-A Method for making substituted prolines E. R. SQUIBB & SONS, INC. (US) 1985-02-26 US disclosed