SCHEMBL8901382

SCHEMBL8901382

CC(C)(C)OC(=O)N[C@@H](c1ccccc1F)C(S)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.45
CTSK P43235 3/20 0.45
PTPN1 P18031 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
ATM Q13315 1/20 0.40
ACE P12821 1/20 0.40
PPARD Q03181 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 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
SCHEMBL4177618 0.86 CTSS (0.46) CTSSCTSKPTPN1GABRB1GABRB2
SCHEMBL8901402 0.82 CTSK (0.50) CTSSCTSKGABRB1GABRB2PPARA
SCHEMBL30370648 0.81 CTSS (0.49) CTSSCTSKPTPN1GABRB1GABRB2
SCHEMBL8511514 0.81 CTSS (0.49) CTSSCTSKPTPN1GABRB1GABRB2
SCHEMBL16334202 0.81 CTSS (0.49) CTSSCTSKPTPN1GABRB1GABRB2
SCHEMBL23886587 0.81 CTSS (0.49) CTSSCTSKPTPN1GABRB1GABRB2
SCHEMBL29571369 0.81 CTSS (0.49) CTSSCTSKPTPN1GABRB1GABRB2
SCHEMBL30370355 0.81 CTSS (0.49) CTSSCTSKPTPN1GABRB1GABRB2
SCHEMBL8900372 0.81 CTSS (0.42) CTSSCTSKPTPN1GABRB1GABRB2
SCHEMBL18683503 0.80 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