SCHEMBL24229262

SCHEMBL24229262

C=CC(=O)CCc1ccc2c(c1)CCC2=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 3/20 0.41
AKR1B1 P15121 2/20 0.39
MAPK14 Q16539 2/20 0.39
ACACB O00763 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
BAZ2B Q9UIF8 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PRKCI P41743 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL24229266 0.89 PBRM1 (0.45) HSD17B1AKR1B1MAPK14MAOAMAOB
SCHEMBL6227273 0.82 AKR1B1 (0.49) CASP1CASP7HSD17B10HSD17B1AKR1B1
SCHEMBL4817434 0.77 CASP1 (0.50) CASP1CASP7HSD17B10HSD17B1AKR1B1
SCHEMBL28144985 0.76 CASP1 (0.53) CASP1CASP7HSD17B10HSD17B1AKR1B1
SCHEMBL27717299 0.75 MAPT (0.46) CASP1CASP7HSD17B10HSD17B1AKR1B1
SCHEMBL22912848 0.75 CASP1 (0.49) CASP1CASP7HSD17B10HSD17B1AKR1B1
SCHEMBL8099995 0.75 ALDH1A1 (0.54) CASP1CASP7HSD17B10HSD17B1ACACB
SCHEMBL86398 0.74 CASP1 (0.47) CASP1CASP7HSD17B10HSD17B1AKR1B1
SCHEMBL27717447 0.74 CASP1 (0.47) CASP1CASP7HSD17B10HSD17B1ACACB
SCHEMBL4805957 0.73 CASP1 (0.53) CASP1CASP7HSD17B10HSD17B1AKR1B1

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-2022023460-A1 ACRYLAMIDE-SUBSTITUTED INDANE COMPOUNDS AND THERAPEUTIC USE THEREOF SANOFI (FR) 2022-02-03 WO disclosed