SCHEMBL11402446

SCHEMBL11402446

CCCCC[C@H](O)C=CC[C@@H](C)CCCC(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ DDAH1 O94760 1/20 0.42
▸ GAPDH P04406 1/20 0.42
▸ LTB4R Q15722 2/20 0.39
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ FPR2 P25090 2/20 0.37
▸ GPR132 Q9UNW8 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ ALOX5 P09917 1/20 0.35

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
SCHEMBL11402433 1.00 MAPT (0.42) MAPTTRPA1DDAH1GAPDHLTB4R
SCHEMBL11394701 1.00 MAPT (0.42) MAPTTRPA1DDAH1GAPDHLTB4R
SCHEMBL11391004 0.81 PTGER1 (0.33) —
SCHEMBL11307883 0.80 PPARG (0.50) MAPTTRPA1DDAH1GAPDHLTB4R
SCHEMBL11391329 0.77 HTT (0.39) TRPA1
SCHEMBL11388461 0.77 PPARG (0.43) TRPA1ALDH1A1PPARGFAAH
SCHEMBL11402070 0.75 HTT (0.37) TRPA1ALDH1A1NFKB1
SCHEMBL12844291 0.72 MEN1 (0.42) MAPTALDH1A1
SCHEMBL2002733 0.70 OPRM1 (0.41) MAPTTRPA1DDAH1GAPDH
SCHEMBL868399 0.70 TRPA1 (0.59) MAPTTRPA1DDAH1GAPDHLTB4R2

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
US-4243683-A INSECTICIDES, MITICIDES MAY & BAKER LIMITED (GB) 1981-01-06 — — US disclosed
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