SCHEMBL8829085

SCHEMBL8829085

CC(C)(C)OC(=O)NCC(=O)N1[C@@H](c2ccccc2-c2ccccc2)SC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.45
▸ FFAR2 O15552 12/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SIGMAR1 Q99720 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
SCHEMBL8871032 0.89 ACE (0.46) ACEFFAR2SIGMAR1
SCHEMBL8870576 0.86 HSD17B10 (0.47) ACEFFAR2ALDH1A1POLBSIGMAR1
SCHEMBL8870503 0.86 HSD17B10 (0.47) ACEFFAR2ALDH1A1POLBSIGMAR1
SCHEMBL8871068 0.86 ACE (0.47) ACEFFAR2SIGMAR1
SCHEMBL8860462 0.82 SIGMAR1 (0.39) ACEALDH1A1POLBSIGMAR1
SCHEMBL8860452 0.82 SIGMAR1 (0.39) ACEALDH1A1POLBSIGMAR1
SCHEMBL8871931 0.79 HTT (0.39) ACEFFAR2ALDH1A1SIGMAR1
SCHEMBL8829132 0.78 SIGMAR1 (0.48) ACESIGMAR1
SCHEMBL8829187 0.78 ACE (0.55) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL8829192 0.78 FFAR2 (0.48) ACEFFAR2ALDH1A1POLBHPGD

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-5633270-A Thiazolidine derivatives, preparation thereof and drugs containing samem RHONE-POULENC RORER S.A. (FR) 1997-05-27 — — US disclosed
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