SCHEMBL25200239

SCHEMBL25200239

CC(O)CCCCCCCC(O)NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
TRPV1 Q8NER1 2/20 0.35
TRPA1 O75762 1/20 0.35
FAAH O00519 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
GPR84 Q9NQS5 3/20 0.31
SPHK1 Q9NYA1 1/20 0.31
FFAR1 O14842 1/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL28080249 0.84 GPR84 (0.48) MAPTFAAHGPR84SPHK1FFAR1
SCHEMBL11552767 0.84 GPR84 (0.48) MAPTFAAHGPR84SPHK1FFAR1
SCHEMBL28853943 0.77 PTPN1 (0.33)
SCHEMBL7322444 0.76 ALDH1A1 (0.52) ALDH1A1MAPTTRPV1TRPA1FAAH
SCHEMBL21041368 0.76 ALDH1A1 (0.52) ALDH1A1MAPTTRPV1TRPA1FAAH
SCHEMBL4653901 0.76 ALDH1A1 (0.52) ALDH1A1MAPTTRPV1TRPA1FAAH
SCHEMBL28010894 0.76 KMT2A (0.42) ALDH1A1MAPTFAAHDPP4DPP8
SCHEMBL867273 0.74
SCHEMBL21042259 0.72 ALDH1A1 (0.49) ALDH1A1MAPTTRPV1TRPA1GPR84
Urea SCHEMBL25264974 0.72 ALDH1A1 (0.49) ALDH1A1MAPTTRPV1TRPA1GPR84

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-20230142844-A1 USE OF 1,9-DECANEDIOL IN RETARDING UREA HYDROLYSIS INSTITUTION OF SOIL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-11 US disclosed