SCHEMBL11261630

SCHEMBL11261630

CCC(C)OC(=O)C(CCCCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
LTB4R Q15722 3/20 0.44
NAAA Q02083 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPA1 O75762 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
EPHX2 P34913 2/20 0.42
FAAH O00519 3/20 0.41

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
SCHEMBL11268642 1.00 MAPT (0.45) MAPTLTB4RNAAASMN1; SMN2TRPA1
SCHEMBL11261409 1.00 MAPT (0.45) MAPTLTB4RNAAASMN1; SMN2TRPA1
SCHEMBL11263275 1.00 MAPT (0.45) MAPTLTB4RNAAASMN1; SMN2TRPA1
SCHEMBL11261128 0.99 MAPT (0.46) MAPTLTB4RNAAASMN1; SMN2TRPA1
SCHEMBL2673427 0.89 MAPT (0.49) MAPTSMN1; SMN2
SCHEMBL10383315 0.88 PPARA (0.48)
SCHEMBL11265396 0.88 PPARA (0.48)
SCHEMBL11277720 0.84 MEN1 (0.42) MAPTSMN1; SMN2
SCHEMBL11202434 0.83 TDP1 (0.56) MAPTLTB4RSMN1; SMN2TRPA1RXFP1
SCHEMBL10874645 0.83 TDP1 (0.56) MAPTLTB4RSMN1; SMN2TRPA1RXFP1

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-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed