SCHEMBL7256996

SCHEMBL7256996

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CBr

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
KLK5 Q9Y337 1/20 0.42
FKBP1A P62942 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.40
ACE P12821 2/20 0.40
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7256995 1.00 HSD17B10 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL6783598 1.00 HSD17B10 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL196944 0.86 FKBP1A (0.45) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL14045138 0.86 FKBP1A (0.45) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL16000757 0.85 DPP4 (0.46) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL18065823 0.85 HSD17B10 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL196943 0.85 HSD17B10 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL2115151 0.85 HSD17B10 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL24749796 0.84 KLK5 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL6786304 0.84 HSD17B10 (0.42) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2

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-2003051848-A2 IMIDAZOLIDINEACETIC ACID DERIVATIVES FERRING BV (NL) 2003-06-26 WO claimed