SCHEMBL8870796

SCHEMBL8870796

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@@H](c2ccccc2F)SC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ FFAR2 O15552 10/20 0.39
▸ HTT P42858 1/20 0.39
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 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
SCHEMBL8870842 1.00 ACE (0.39) ACELMNAFFAR2HTTCTSS
SCHEMBL8871032 0.82 ACE (0.46) ACELMNAFFAR2HTT
SCHEMBL8860593 0.81 POLB (0.40) ACELMNAFFAR2HTTALDH1A1
SCHEMBL8870726 0.80 ACE (0.46) ACELMNAFFAR2HTTALDH1A1
SCHEMBL8870261 0.80 ACE (0.46) ACELMNAFFAR2HTTALDH1A1
SCHEMBL7660623 0.78 HSD17B10 (0.44) FFAR2ALDH1A1POLB
SCHEMBL8870412 0.76 USP30 (0.36) —
SCHEMBL8870606 0.76 USP30 (0.36) —
SCHEMBL8860462 0.74 SIGMAR1 (0.39) ACECTSSCTSKALDH1A1POLB
SCHEMBL8860452 0.74 SIGMAR1 (0.39) ACECTSSCTSKALDH1A1POLB

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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