SCHEMBL7876271

SCHEMBL7876271

O=C(OC1CCCCC1)C1CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAAA Q02083 2/20 0.41
HDAC8 Q9BY41 1/20 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
SCHEMBL5954294 1.00 EPHX1 (0.48) EPHX1CES2CES1FABP7FABP5
SCHEMBL27680260 1.00 EPHX1 (0.48) EPHX1CES2CES1FABP7FABP5
SCHEMBL26666920 1.00 EPHX1 (0.48) EPHX1CES2CES1FABP7FABP5
SCHEMBL5953668 1.00 EPHX1 (0.48) EPHX1CES2CES1FABP7FABP5
SCHEMBL170007 1.00 EPHX1 (0.48) EPHX1CES2CES1FABP7FABP5
SCHEMBL17061159 1.00 EPHX1 (0.48) EPHX1CES2CES1FABP7FABP5
SCHEMBL24595803 1.00 EPHX1 (0.48) EPHX1CES2CES1FABP7FABP5
SCHEMBL2678468 1.00 EPHX1 (0.48) EPHX1CES2CES1FABP7FABP5
SCHEMBL11038809 1.00 EPHX1 (0.48) EPHX1CES2CES1FABP7FABP5
SCHEMBL17061158 1.00 EPHX1 (0.48) EPHX1CES2CES1FABP7FABP5

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-6172262-B1 CONTAINING AMIDE; DETERGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-01-09 US disclosed