SCHEMBL11316938

SCHEMBL11316938

CC(C)C(/C=C/c1ccccc1F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.47
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAOB P27338 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP1B1 Q16678 1/20 0.40
RECQL P46063 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
SCHEMBL11316941 1.00 NFE2L2 (0.47) NFE2L2RAB9ASMN1; SMN2MAOBMAPT
SCHEMBL11316940 1.00 NFE2L2 (0.47) NFE2L2RAB9ASMN1; SMN2MAOBMAPT
SCHEMBL11314264 0.81 NFE2L2 (0.44) NFE2L2RAB9AMAPTCYP1B1RECQL
SCHEMBL11314247 0.81 NFE2L2 (0.44) NFE2L2RAB9AMAPTCYP1B1RECQL
SCHEMBL11314282 0.81 NFE2L2 (0.44) NFE2L2RAB9AMAPTCYP1B1RECQL
SCHEMBL11407210 0.81 RAB9A (0.48) NFE2L2RAB9ASMN1; SMN2MAOBMAPT
SCHEMBL11407212 0.81 RAB9A (0.48) NFE2L2RAB9ASMN1; SMN2MAOBMAPT
SCHEMBL11407204 0.81 RAB9A (0.48) NFE2L2RAB9ASMN1; SMN2MAOBMAPT
SCHEMBL11311798 0.81 MAPT (0.45) RAB9ASMN1; SMN2MAOBMAPTNPC1
SCHEMBL11311793 0.81 MAPT (0.45) RAB9ASMN1; SMN2MAOBMAPTNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4267359-A Novel carboxylic acid esters ZOECON CORPORATION (US) 1981-05-12 US disclosed
US-4204071-A 4-Aryl-3-butenoic acids and lower alkyl esters ZOECON CORPORATION (US) 1980-05-20 US disclosed