SCHEMBL8829132

SCHEMBL8829132

CC(C)(C)OC(=O)NCC(=O)N1C(Cc2ccccc2)SC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.48
▸ ACE P12821 1/20 0.40
▸ NPFFR1 Q9GZQ6 1/20 0.40
▸ NPFFR2 Q9Y5X5 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ IDO1 P14902 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
SCHEMBL8829084 0.83 KLK7 (0.42) —
SCHEMBL8870576 0.83 HSD17B10 (0.47) SIGMAR1ACEKMT2A
SCHEMBL8870503 0.83 HSD17B10 (0.47) SIGMAR1ACEKMT2A
SCHEMBL8829146 0.80 ALDH1A1 (0.40) SIGMAR1KMT2A
SCHEMBL8871032 0.79 ACE (0.46) SIGMAR1ACE
SCHEMBL8829085 0.78 ACE (0.45) SIGMAR1ACE
SCHEMBL8829154 0.78 KMT2A (0.41) SIGMAR1ACEKMT2A
SCHEMBL8871068 0.77 ACE (0.47) SIGMAR1ACEKMT2A
SCHEMBL8829203 0.77 HSD17B10 (0.36) ACE
SCHEMBL8829150 0.76 HSD17B10 (0.43) SIGMAR1ACE

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
Send feedback