SCHEMBL10904272

SCHEMBL10904272

CCc1cccc(N2C(=O)C3CC(C)=C(C)CC3C2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.60
▸ TSHR P16473 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX5 P09917 1/20 0.44
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ATM Q13315 2/20 0.41

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
SCHEMBL10904271 0.85 GAA (0.58) MGLLTSHRALDH1A1HSD17B10HPGD
SCHEMBL10899845 0.80 MGLL (0.54) MGLLTSHRALDH1A1HSD17B10MAPT
SCHEMBL10904126 0.77 TSHR (0.60) TSHRALDH1A1HSD17B10MAPTPKM
SCHEMBL3482931 0.76 MGLL (1.00) MGLLALDH1A1MAPTPKMHPGD
SCHEMBL10902025 0.75 ALDH1A1 (0.53) TSHRALDH1A1HSD17B10MAPTPKM
SCHEMBL3194662 0.75 MGLL (0.48) MGLLTSHRALDH1A1ALOX5SMN1; SMN2
SCHEMBL3194645 0.75 MGLL (0.48) MGLLTSHRALDH1A1ALOX5SMN1; SMN2
SCHEMBL3194659 0.75 MGLL (0.48) MGLLTSHRALDH1A1ALOX5SMN1; SMN2
SCHEMBL3201219 0.74 MGLL (0.54) MGLLALDH1A1ALOX5SMN1; SMN2ATM
SCHEMBL3201222 0.74 MGLL (0.54) MGLLALDH1A1ALOX5SMN1; SMN2ATM

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
US-4596826-A Anticonvulsants EISAI CO., LTD. (JP) 1986-06-24 — — US disclosed
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