SCHEMBL31363006

SCHEMBL31363006

CC(C)(C)n1nnc(Oc2cccc(C(F)(F)F)c2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.50
PPARA Q07869 2/20 0.50
ATM Q13315 1/20 0.49
ADORA2A P29274 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RY1 P47900 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MAPT P10636 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
SCHEMBL31362966 0.86 ATM (0.47) PPARGPPARAATMADORA2ACYP1A2
SCHEMBL31719634 0.86 PPARG (0.50) PPARGPPARAADORA2ACYP1A2CYP2C9
SCHEMBL31363064 0.83 CYP1A2 (0.43) PPARGCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL31405509 0.79 ATM (0.49) PPARGPPARAATMKDM4ESMN1; SMN2
SCHEMBL31163273 0.77 PPARG (0.53) PPARGPPARAATMKDM4EMAPT
SCHEMBL31362930 0.75 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL31719633 0.74 AKR1C3 (0.47) PPARGADORA2ACYP1A2CYP2C9CYP2C19
SCHEMBL31163186 0.74 ICAM1 (0.50) PPARGPPARAATMNPSR1L3MBTL1
SCHEMBL22116196 0.72 CYP1A2 (0.51) ATMADORA2ACYP1A2CYP2C9CYP2C19
SCHEMBL28631132 0.72 ADORA2A (0.48) PPARGADORA2ACYP1A2CYP2C9CYP2C19

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
WO-2025033011-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2025-02-13 WO disclosed