SCHEMBL31719633

SCHEMBL31719633

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
MAPT P10636 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
RECQL P46063 1/20 0.44
PTGER4 P35408 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
P2RY1 P47900 4/20 0.41
PPARG P37231 1/20 0.41
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
PTGER2 P43116 1/20 0.40

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 0.87 ATM (0.47) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL31719634 0.85 PPARG (0.50) AKR1C3MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21994745 0.76 CYP1A2 (0.46) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL28651528 0.76 CYP1A2 (0.46) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL28632947 0.75 CYP1A2 (0.50) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL31363006 0.74 PPARG (0.50) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL6422722 0.73 MAPT (0.76) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL7242519 0.71 NPSR1 (0.63) MAPTPOLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL30997351 0.71 PTGER4 (0.40) AKR1C3PTGER4NPSR1P2RY1KDM4E
SCHEMBL28644328 0.70 KDM4E (0.46) MAPTCYP1A2CYP2C9CYP2C19RECQL

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
EP-4644388-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE Nippon Soda Co., Ltd. (JP) 2025-11-05 EP disclosed