SCHEMBL8871068

SCHEMBL8871068

CC(C)(C)OC(=O)NCC(=O)N1[C@@H](c2cccc3ccccc23)SC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.47
▸ SIGMAR1 Q99720 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ FFAR2 O15552 5/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37

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
SCHEMBL8871032 0.87 ACE (0.46) ACESIGMAR1HTTLMNAFFAR2
SCHEMBL8829085 0.86 ACE (0.45) ACESIGMAR1FFAR2
SCHEMBL8870503 0.85 HSD17B10 (0.47) ACESIGMAR1FFAR2MEN1KMT2A
SCHEMBL8870576 0.85 HSD17B10 (0.47) ACESIGMAR1FFAR2MEN1KMT2A
SCHEMBL8860452 0.79 SIGMAR1 (0.39) ACESIGMAR1MEN1KMT2ACTSS
SCHEMBL8860462 0.79 SIGMAR1 (0.39) ACESIGMAR1MEN1KMT2ACTSS
SCHEMBL8870611 0.78 ACE (0.57) ACEHTTLMNAFFAR2
SCHEMBL8870431 0.78 NPC1 (0.41) ACEHTTMEN1KMT2A
SCHEMBL8870433 0.78 NPC1 (0.41) ACEHTTMEN1KMT2A
SCHEMBL8870544 0.78 NPC1 (0.41) ACEHTTMEN1KMT2A

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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