SCHEMBL1220051

SCHEMBL1220051

C=CC(C)CCC=C(C)COC(C)=O.C=CC(C)CCCC(C)(C)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.33
BHMT Q93088 3/20 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
SCHEMBL10980197 0.84 ALOX15 (0.42) TDP1ALOX15
SCHEMBL158258 0.84 ALOX15 (0.42) TDP1ALOX15
SCHEMBL1767288 0.82 FFAR1 (0.57) FFAR1CPT2TDP1ALOX15BHMT
SCHEMBL8667280 0.74 TSHR (0.36) ALOX15
SCHEMBL8528618 0.74 ALOX15 (0.34) ALOX15
SCHEMBL8672011 0.74 ALOX15 (0.34) TDP1ALOX15
SCHEMBL3374536 0.71 ALOX15 (0.33) TDP1ALOX15
SCHEMBL7161103 0.71 ALOX15 (0.33) ALOX15
SCHEMBL7893230 0.71 TRPA1 (0.34) TDP1ALOX15
SCHEMBL28170264 0.71 ALOX15 (0.45) ALOX15

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-20110078920-A1 SWEAT-ABSORBING SHOE SOLE INSERTS HAVING IMPROVED SWEAT ABSORPTION EVONIK DEGUSSA GMBH (DE) 2011-04-07 US disclosed
US-20110037021-A1 STORAGE-STABLE PRODUCT SYSTEMS FOR PREMIX FORMULATIONS EVONIK OPERATIONS GMBH (DE) 2011-02-17 US disclosed