SCHEMBL8870503

SCHEMBL8870503

CC(C)(C)OC(=O)NCC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ FFAR2 O15552 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.44
▸ ACE P12821 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL8870576 1.00 HSD17B10 (0.47) HSD17B10FFAR2POLBGAARAB9A
SCHEMBL8871032 0.87 ACE (0.46) FFAR2SIGMAR1ACE
SCHEMBL8829085 0.86 ACE (0.45) FFAR2POLBSIGMAR1ACEALDH1A1
SCHEMBL8871068 0.85 ACE (0.47) FFAR2SIGMAR1ACEMEN1KMT2A
SCHEMBL8829132 0.83 SIGMAR1 (0.48) SIGMAR1ACEKMT2A
SCHEMBL7663358 0.83 HSD17B10 (0.52) HSD17B10FFAR2POLBGAARAB9A
SCHEMBL8871931 0.81 HTT (0.39) FFAR2SIGMAR1ACEALDH1A1
SCHEMBL8668739 0.81 ACE (0.47) SIGMAR1ACEMEN1ALDH1A1KMT2A
SCHEMBL14024616 0.81 HSD17B10 (0.54) HSD17B10FFAR2POLBGAARAB9A
SCHEMBL3072035 0.81 HSD17B10 (0.54) HSD17B10FFAR2POLBGAARAB9A

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
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