SCHEMBL27650643

SCHEMBL27650643

Cc1cc(N(Cc2oc(-c3ccc(C(F)(F)F)cc3)nc2C)C(=O)OC(C)(C)C)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.47
PPARD Q03181 6/20 0.47
PPARA Q07869 6/20 0.47
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
IKBKB O14920 1/20 0.40
PTPN1 P18031 5/20 0.38
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
CETP P11597 1/20 0.36
HDAC5 Q9UQL6 1/20 0.35
UTRN P46939 1/20 0.35

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
SCHEMBL4856754 0.86 PPARD (0.45) PPARGPPARDPPARAHDAC1HDAC6
SCHEMBL27650474 0.81 PPARD (0.47) PPARGPPARDPPARAIKBKBPTPN1
SCHEMBL27650490 0.80 PPARD (0.53) PPARGPPARDPPARA
SCHEMBL27630403 0.73 PPARD (0.45) PPARGPPARDPPARAIKBKBPTPN1
SCHEMBL4853408 0.72 PPARD (0.61) PPARGPPARDPPARAPTPN1
SCHEMBL27630423 0.72 PPARD (0.50) PPARGPPARDPPARAHDAC1HDAC6
SCHEMBL4467452 0.71 PPARD (0.58) PPARGPPARDPPARAHDAC1HDAC6
SCHEMBL4854406 0.71 PPARD (0.70) PPARGPPARDPPARAPTPN1
SCHEMBL3609897 0.71 PDK2 (0.39) HDAC1HDAC6CYP2C9HDAC5
SCHEMBL4852696 0.70 PPARD (0.49) PPARGPPARDPPARAIKBKBPTPN1

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
CN-1809541-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2006-07-26 CN disclosed