SCHEMBL31362966

SCHEMBL31362966

CC(C)OC(=O)c1c(Oc2cccc(C(F)(F)F)c2)nnn1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RY1 P47900 5/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 2/20 0.40
ADORA2A P29274 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PTGER4 P35408 1/20 0.38

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
SCHEMBL31719633 0.87 AKR1C3 (0.47) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL31363006 0.86 PPARG (0.50) ATMMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28651528 0.77 CYP1A2 (0.46) ATMMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21994745 0.74 CYP1A2 (0.46) ATMMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL31719634 0.74 PPARG (0.50) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL28632947 0.74 CYP1A2 (0.50) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL6422722 0.71 MAPT (0.76) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL28644328 0.71 KDM4E (0.46) ATMMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7242519 0.70 NPSR1 (0.63) MAPTHTTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL31363064 0.70 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2PPARG

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