SCHEMBL25856442

SCHEMBL25856442

CCC/C=C/c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.50
TRPA1 O75762 3/20 0.47
APP P05067 1/20 0.45
HSD11B1 P28845 1/20 0.42
PTGS1 P23219 2/20 0.41
NQO2 P16083 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
FBP1 P09467 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
SCHEMBL7237115 0.91 TNNC1 (0.43) NFE2L2TRPA1APPPTGS1PTGS2
SCHEMBL7237111 0.91 TNNC1 (0.43) NFE2L2TRPA1APPPTGS1PTGS2
SCHEMBL8620908 0.89 NFE2L2 (0.41) NFE2L2TRPA1APPHSD11B1PTGS1
SCHEMBL8620912 0.89 NFE2L2 (0.41) NFE2L2TRPA1APPHSD11B1PTGS1
SCHEMBL15050816 0.88 NFE2L2 (0.47) NFE2L2TRPA1APPHSD11B1PTGS1
SCHEMBL15050819 0.88 NFE2L2 (0.47) NFE2L2TRPA1APPHSD11B1PTGS1
SCHEMBL15690345 0.86 TNNC1 (0.49) NFE2L2TRPA1APP
SCHEMBL15688742 0.86 TNNC1 (0.49) NFE2L2TRPA1APP
SCHEMBL12048760 0.82 NFE2L2 (0.54) NFE2L2TRPA1APPHSD11B1PTGS1
SCHEMBL9353695 0.82 NFE2L2 (0.54) NFE2L2TRPA1APPHSD11B1PTGS1

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-20230235142-A1 METHODS FOR PROCESSING POLYOLEFINS SAUDI ARABIAN OIL COMPANY (SA) 2023-07-27 US disclosed
CN-111320646-B 1, 4-eneyne compound and preparation method and application thereof 广东工业大学 2023-02-10 CN disclosed