SCHEMBL27650474

SCHEMBL27650474

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.47
PPARG P37231 5/20 0.47
PPARA Q07869 4/20 0.46
PTPN1 P18031 2/20 0.43
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IKBKB O14920 1/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL27630403 0.89 PPARD (0.45) PPARDPPARGPPARAPTPN1CYP1A2
SCHEMBL4853408 0.83 PPARD (0.61) PPARDPPARGPPARAPTPN1
SCHEMBL27650643 0.81 PPARG (0.47) PPARDPPARGPPARAPTPN1IKBKB
SCHEMBL4852696 0.81 PPARD (0.49) PPARDPPARGPPARAPTPN1KDM4E
SCHEMBL4854406 0.80 PPARD (0.70) PPARDPPARGPPARAPTPN1
SCHEMBL27630423 0.79 PPARD (0.50) PPARDPPARGPPARAPTPN1CYP1A2
SCHEMBL27664100 0.76 PPARD (0.41) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL4467452 0.75 PPARD (0.58) PPARDPPARGPPARAPTPN1CYP1A2
SCHEMBL12151275 0.74 PPARD (0.56) PPARDPPARGPPARAPTPN1CYP1A2
SCHEMBL820999 0.73 PPARD (0.56) PPARDPPARGPPARAPTPN1CYP1A2

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