SCHEMBL31411757

SCHEMBL31411757

COC(=O)c1ccc2c(c1)NC(=O)C21CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
IP6K1 Q92551 1/20 0.49
RAF1 P04049 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX5 P09917 1/20 0.45
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL19975285 0.93 MAPK14 (0.56) MAPK14ALDH1A1LMNAIP6K1RAF1
SCHEMBL23591227 0.91 MAPK14 (0.53) MAPK14ALDH1A1LMNAIP6K1RAF1
SCHEMBL23590613 0.86 MAPK14 (0.47) MAPK14ALDH1A1LMNAIP6K1RAF1
SCHEMBL29825095 0.82 MAPK14 (0.53) MAPK14ALDH1A1LMNAALOX5ALOX15
SCHEMBL16321516 0.82 MAPK14 (0.53) MAPK14ALDH1A1LMNAALOX5ALOX15
SCHEMBL12548325 0.82 IP6K1 (0.57) MAPK14ALDH1A1LMNAIP6K1
SCHEMBL9773677 0.81 IP6K1 (0.52) MAPK14IP6K1RAF1CYP1A2CYP2C9
SCHEMBL1232243 0.81 MAPK14 (0.77) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL22711811 0.81 IP6K1 (0.56) ALDH1A1LMNAIP6K1ALOX15HSD17B10
SCHEMBL12548174 0.81 IP6K1 (0.56) ALDH1A1LMNAIP6K1

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-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed