SCHEMBL30066037

SCHEMBL30066037

C=CCC1CC(C)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.40
CYP19A1 P11511 4/20 0.34
FAAH O00519 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
MT-CO2 P00403 2/20 0.31
ALOX5 P09917 2/20 0.31
PRSS1 P07477 2/20 0.30
CTRC Q99895 2/20 0.30
F2 P00734 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL7619973 0.81 FAAH (0.34) CYP19A1FAAHNOS1NOS2ALDH1A1
SCHEMBL3259636 0.80
SCHEMBL19302160 0.80
SCHEMBL29554100 0.80
SCHEMBL8780067 0.78 TLR4 (0.40) TLR4CYP19A1FAAHNOS1NOS2
SCHEMBL16564631 0.77 CYP19A1 (0.32) CYP19A1FAAH
SCHEMBL9190051 0.76 TLR4 (0.44) TLR4MT-CO2ALOX5
SCHEMBL11667480 0.76 TRPA1 (0.37) TLR4CYP19A1FAAHALDH1A1
SCHEMBL6907551 0.75 TLR4 (0.47) TLR4MT-CO2ALOX5
SCHEMBL18231269 0.73 TLR4 (0.34) TLR4CYP19A1FAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12070049-B2 Method of using branched-chain fatty acids to substantially emulate ruminant sensory profiles in plant- and cell-based meat and dairy products Black Sheep Foods Inc. (US) 2024-08-27 US disclosed
US-20220361548-A1 METHOD OF USING BRANCHED-CHAIN FATTY ACIDS TO SUBSTANTIALLY EMULATE RUMINANT SENSORY PROFILES IN PLANT- AND CELL-BASED MEAT AND DAIRY PRODUCTS Black Sheep Foods Inc. 2022-11-17 US disclosed