SCHEMBL31634331

SCHEMBL31634331

Cc1cc(C=CCCC=O)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.41
NFE2L2 Q16236 3/20 0.40
GABRA1 P14867 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALOX5 P09917 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
GPR183 P32249 1/20 0.33
BACE1 P56817 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DAPK3 O43293 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
ROCK1 Q13464 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
VCP P55072 1/20 0.31

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
SCHEMBL31634330 1.00 TUBB1 (0.41) TUBB1NFE2L2GABRA1SIGMAR1ALOX5
SCHEMBL2095286 0.86 NFE2L2 (0.42) TUBB1NFE2L2GABRA1SIGMAR1ALOX5
SCHEMBL2093082 0.84 NFE2L2 (0.43) TUBB1NFE2L2GABRA1SIGMAR1ALOX5
SCHEMBL2093085 0.84 NFE2L2 (0.43) TUBB1NFE2L2GABRA1SIGMAR1ALOX5
SCHEMBL31634332 0.84 TUBB1 (0.44) TUBB1ALOX5PTGS1PTGS2BACE1
SCHEMBL31634336 0.84 TUBB1 (0.44) TUBB1ALOX5PTGS1PTGS2BACE1
SCHEMBL26052111 0.80 BACE1 (0.52) TUBB1NFE2L2PTGS1BACE1
SCHEMBL2455685 0.77 ALDH1A1 (0.52) TUBB1NFE2L2GABRA1SIGMAR1ALOX5
SCHEMBL2455679 0.77 ALDH1A1 (0.52) TUBB1NFE2L2GABRA1SIGMAR1ALOX5
SCHEMBL27965701 0.77 NFE2L2 (0.43) TUBB1NFE2L2GABRA1SIGMAR1ALOX5

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
CN-120192218-A Ring-opening hydroformylation reaction of benzylidene cyclopropane with formic acid as carbonyl source 常州大学 2025-06-24 CN disclosed