SCHEMBL6026958

SCHEMBL6026958

O=C(O)CC(=O)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.49
MMP1 P03956 1/20 0.49
IDO1 P14902 2/20 0.49
PPARG P37231 5/20 0.48
PPARA Q07869 5/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MGLL Q99685 1/20 0.47
MAOB P27338 2/20 0.47
FFAR1 O14842 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL6026962 0.91 IDO1 (0.53) MMP12MMP1IDO1PPARGPPARA
SCHEMBL11740623 0.85 MAOB (0.52) MMP12MMP1IDO1PPARGPPARA
SCHEMBL24397801 0.84 MMP12 (0.45) MMP12MMP1IDO1PPARGPPARA
SCHEMBL11841969 0.82 IDO1 (0.55) MMP12MMP1IDO1PPARGPPARA
SCHEMBL10661072 0.81 MMP12 (0.45) MMP12MMP1IDO1PPARGPPARA
SCHEMBL10175183 0.81 MAOB (0.51) MMP12MMP1IDO1PPARGPPARA
SCHEMBL6921092 0.81 IDO1 (0.55) MMP12MMP1IDO1PPARGPPARA
Hydrochloric Acid SCHEMBL11841966 0.81 IDO1 (0.56) MMP12MMP1IDO1PPARGPPARA
SCHEMBL11667730 0.80 MEN1 (0.55) IDO1KMT2AMEN1
SCHEMBL25290310 0.80 IDO1 (0.57) MMP12MMP1IDO1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633354-A2 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-03-15 EP claimed
WO-2004092146-A2 N- (((((1,3-THIAZOL-2-YL) AMINO) CARBONYL) PHENYL) SULFONYL) PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-10-28 WO claimed