SCHEMBL28229871

SCHEMBL28229871

CCCCCC(C=O)C(O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
DDAH1 O94760 1/20 0.48
GAPDH P04406 1/20 0.48
MAPT P10636 1/20 0.48
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 2/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
FDPS P14324 4/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
CA1 P00915 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
SCHEMBL6030603 0.83 ADH1B (0.50) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL11792953 0.83
SCHEMBL8897164 0.83 ADH1B (0.50) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27504516 0.83 TRPA1 (0.46) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL9487089 0.83 SPHK1 (0.50) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL9833481 0.83 SPHK1 (0.50) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL6354275 0.83 SPHK1 (0.50) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL732145 0.83 MAPT (0.46) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27487033 0.81 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27488116 0.81 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84

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-108191592-A A kind of method that micro passage reaction carries out aldol reaction 大连韦德生化科技有限公司 2018-06-22 CN disclosed