SCHEMBL27504516

SCHEMBL27504516

[CH2]C(O)C(C=O)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
DDAH1 O94760 1/20 0.46
GAPDH P04406 1/20 0.46
MAPT P10636 1/20 0.46
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 2/20 0.41
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
FDPS P14324 4/20 0.38
FFAR4 Q5NUL3 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL27522333 0.98 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27488831 0.98 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27488117 0.98 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27488478 0.98 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27487033 0.98 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27503457 0.98 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27529358 0.98 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27486695 0.98 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27488116 0.98 TRPA1 (0.44) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL27503106 0.98 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-1194274-A Cross-linked polymer MITSUI CHEMICALS CO (JP) 1998-09-30 CN disclosed