SCHEMBL8900372

SCHEMBL8900372

CC(=O)SC(C(=O)O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.42
CTSK P43235 3/20 0.42
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
PTPN1 P18031 1/20 0.39
PPARD Q03181 2/20 0.39
ATM Q13315 1/20 0.37
ACE P12821 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPT P10636 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL8902472 0.84 CTSK (0.46) CTSSCTSKPPARAPPARGPPARD
SCHEMBL4177618 0.82 CTSS (0.46) CTSSCTSKPPARAPPARGPTPN1
SCHEMBL8901382 0.81 CTSS (0.45) CTSSCTSKPPARAPPARGPTPN1
SCHEMBL16334202 0.77 CTSS (0.49) CTSSCTSKPPARAPPARGPTPN1
SCHEMBL29571369 0.77 CTSS (0.49) CTSSCTSKPPARAPPARGPTPN1
SCHEMBL23886587 0.77 CTSS (0.49) CTSSCTSKPPARAPPARGPTPN1
SCHEMBL8511514 0.77 CTSS (0.49) CTSSCTSKPPARAPPARGPTPN1
SCHEMBL30370355 0.77 CTSS (0.49) CTSSCTSKPPARAPPARGPTPN1
SCHEMBL30370648 0.77 CTSS (0.49) CTSSCTSKPPARAPPARGPTPN1
SCHEMBL18683503 0.76 CTSS (0.42) CTSSCTSKPTPN1ATMMAPT

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-5686622-A Thiazolidine derivatives, their preparation and the medicaments containing the same RHONE-POULENC RORER S.A. (FR) 1997-11-11 US disclosed