SCHEMBL9540541

SCHEMBL9540541

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRB P28702 6/20 0.56
RXRA P19793 5/20 0.56
RXRG P48443 5/20 0.56
FFAR1 O14842 4/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KEAP1 Q14145 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
CYP26A1 O43174 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2728852 0.89 RXRB (0.67) RXRBRXRARXRGFFAR1ALDH1A1
SCHEMBL11111979 0.87 RXRB (0.64) RXRBRXRARXRGFFAR1ALDH1A1
SCHEMBL20680969 0.82 RXRA (0.57) RXRBRXRARXRGFFAR1ALDH1A1
SCHEMBL30263704 0.82 RXRA (0.57) RXRBRXRARXRGFFAR1ALDH1A1
SCHEMBL8766626 0.81 CYP4F2 (0.50) RXRBRXRARXRGALDH1A1
SCHEMBL7691902 0.80 RXRB (0.56) RXRBRXRARXRGALDH1A1ALOX15
SCHEMBL27697415 0.78 RXRB (0.55) RXRBRXRARXRGALDH1A1ALOX15
SCHEMBL7828378 0.78 FFAR4 (0.56) RXRBRXRARXRGFFAR1ALDH1A1
SCHEMBL21810616 0.77 RXRB (0.53) RXRBRXRARXRGFFAR1ALDH1A1
SCHEMBL8057468 0.76 AKR1B1 (0.54) RXRBRXRARXRGALDH1A1TSHR

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-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed