SCHEMBL9779175

SCHEMBL9779175

CC[C](O)C(CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
SYK P43405 1/20 0.43
DRD2 P14416 5/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
IDO1 P14902 2/20 0.38
LMNA P02545 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL192206 0.88 GAA (0.46) GAASYKDRD2PPARGPPARA
SCHEMBL23564593 0.88 GAA (0.46) GAASYKDRD2PPARGPPARA
SCHEMBL192205 0.88 GAA (0.46) GAASYKDRD2PPARGPPARA
SCHEMBL191176 0.84 L3MBTL1 (0.50) GAASYKDRD2PPARGPPARA
SCHEMBL20860285 0.83 FFAR2 (0.44) GAASYKDRD2PPARGPPARA
SCHEMBL3657534 0.80 GAA (0.48) GAASYKDRD2PPARGPPARA
SCHEMBL4600721 0.79 GAA (0.41) GAASYKDRD2PPARGPPARA
SCHEMBL3658455 0.79 GAA (0.47) GAASYKDRD2PPARGPPARA
SCHEMBL27693091 0.79 GAA (0.47) GAASYKDRD2PPARGPPARA
SCHEMBL637753 0.78 GAA (0.50) GAADRD2PPARGPPARAALDH1A1

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-5051524-A Treatment of a phosphinic acid with an anhydrous protic medium CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed