SCHEMBL22490954

SCHEMBL22490954

Cc1ccc([C@H](C)C=O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TRPA1 O75762 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
NFE2L2 Q16236 1/20 0.36
PDE2A O00408 2/20 0.33
CYP2A6 P11509 1/20 0.33
SRC P12931 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL28517357 1.00 LMNA (0.38) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL27790942 0.85 NFE2L2 (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL96067 0.82 CES2 (0.43) SLC6A2NFE2L2PDE2AL3MBTL1ALDH1A1
SCHEMBL27766137 0.80 TRPA1 (0.41) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL27741876 0.79 LMNA (0.40) LMNA
SCHEMBL27817041 0.79 PDE2A (0.33) PDE2A
SCHEMBL27747529 0.79 APLNR (0.48) LMNAPDE2AL3MBTL1ALDH1A1
SCHEMBL84448 0.77 TRPA1 (0.56) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL21042111 0.77 TDP1 (0.45) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL27696940 0.77 LMNA (0.62) LMNATRPA1CHRM1SLC6A2ADRA1A

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-3717461-A1 A NOVEL ISOXAZOLE COMPOUND OR A SALT THEREOF OAT Agrio Co., Ltd. (JP) 2020-10-07 EP disclosed