SCHEMBL11223716

SCHEMBL11223716

CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCCCCO

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.63
FFAR4 Q5NUL3 1/20 0.63
DGKA P23743 1/20 0.58
FAAH O00519 4/20 0.56
MGLL Q99685 1/20 0.54
LPAR1 Q92633 5/20 0.50
ENPP2 Q13822 2/20 0.50
LPAR4 Q99677 2/20 0.50
LPAR5 Q9H1C0 2/20 0.50
LPAR2 Q9HBW0 2/20 0.50
LPAR3 Q9UBY5 2/20 0.50
PRKCE Q02156 1/20 0.50
PRKCQ Q04759 1/20 0.50
PRKCD Q05655 1/20 0.50
PRKCA P17252 1/20 0.50
CES2 O00748 1/20 0.50
LPAR6 P43657 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL12842107 1.00 FFAR1 (0.63) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL3460445 0.96 FFAR1 (0.64) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL12836601 0.96 FFAR1 (0.64) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL31512149 0.95 FFAR1 (0.63) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL25340998 0.95 FFAR1 (0.69) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL3657211 0.95 FFAR1 (0.69) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL1278170 0.95 FFAR1 (0.69) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL3960493 0.95 FFAR1 (0.69) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL10660641 0.95 FFAR1 (0.69) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL3659434 0.95 FFAR1 (0.69) FFAR1FFAR4DGKAFAAHMGLL

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-4314052-A Polyester which is soluble or dispersible in water, a process for its preparation and its use as a levelling auxiliary, levelling auxiliaries and processes for uniform dyeing CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed
US-4250296-A SULFO-CONTAINING POLYESTER REACTED WITH AN ETHERIFIED OR ESTERIFIED POLYOXYETHYLENE GLYCOL CASSELLA AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed