SCHEMBL7779110

SCHEMBL7779110

CCCCCCC(CCC)C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.49
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 2/20 0.40
CPB2 Q96IY4 1/20 0.40
TP53 P04637 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 1/20 0.39
CA2 P00918 1/20 0.39
OPRM1 P35372 1/20 0.39
SMPD1 P17405 1/20 0.38

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
SCHEMBL7204081 1.00 ZDHHC7 (0.49) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL7509191 0.92 ZDHHC7 (0.43) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL7512070 0.89 ZDHHC7 (0.44) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL7505999 0.89 ZDHHC7 (0.44) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL7509050 0.89 ZDHHC7 (0.44) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL7506703 0.88 CA2 (0.44) ZDHHC7MAPTCPB2TP53MEN1
SCHEMBL6829979 0.87 ZDHHC7 (0.42) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL9000923 0.86 GPR84 (0.47) ZDHHC7GPR84FFAR1MAPTLCK
SCHEMBL14730774 0.84 ZDHHC7 (0.41) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL20313907 0.84 ZDHHC7 (0.43) ZDHHC7GPR84FFAR1MAPTCPB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251946-B1 SATURATED OR UNSATURATED BRANCHED FATTY ACID CONTAINING LIPID ESTER OR FATTY ACID AMIDE TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS, INCLUDING EPILEPSY, MIGRAINES, CHRONIC PAIN AND BIPOLAR DISORDERS D-PHARM LTD. (IL) 2001-06-26 US disclosed
EP-1009734-A1 BRANCHED CHAIN FATTY ACIDS, THEIR DERIVATIVES AND USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS D-PHARM, LTD. (IL) 2000-06-21 EP disclosed
WO-1999002485-A1 BRANCHED CHAIN FATTY ACIDS, THEIR DERIVATIVES AND USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS D-PHARM LTD. (IL) 1999-01-21 WO disclosed