SCHEMBL21856601

SCHEMBL21856601

C=CCCC(=O)[C@H]1CCCC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.31
▸ FAAH O00519 1/20 0.30

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
SCHEMBL112213 1.00 APLNR (0.32) APLNRNLRP3FAAH
SCHEMBL11521736 0.84 APLNR (0.34) APLNR
SCHEMBL16249318 0.83 APLNR (0.43) APLNRNLRP3FAAH
SCHEMBL20755730 0.83 GRM5 (0.31) —
SCHEMBL11501688 0.81 APLNR (0.34) APLNR
SCHEMBL11518970 0.80 APLNR (0.36) APLNR
SCHEMBL11501558 0.79 TRPA1 (0.32) —
SCHEMBL11062252 0.79 APLNR (0.35) APLNR
SCHEMBL27971598 0.76 APLNR (0.39) APLNR
SCHEMBL10885051 0.76 TDP1 (0.34) APLNR

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
WO-2020081055-A1 COMPOSITION AND METHODS FOR IMPARTING A LIKING, CARING OR FRESH ATTRIBUTE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2020-04-23 — — WO disclosed
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