SCHEMBL31167494

SCHEMBL31167494

CCCCCCCC(F)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
ZDHHC7 Q9NXF8 1/20 0.47
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 1/20 0.44
CES2 O00748 1/20 0.44
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CPB2 Q96IY4 1/20 0.42
CA2 P00918 1/20 0.41
FAAH O00519 1/20 0.41
SMPD1 P17405 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL31190396 1.00 MAPT (0.62) MAPTZDHHC7GPR84FFAR1CES2
SCHEMBL31475548 1.00 MAPT (0.62) MAPTZDHHC7GPR84FFAR1CES2
SCHEMBL7469525 1.00 MAPT (0.62) MAPTZDHHC7GPR84FFAR1CES2
SCHEMBL11867305 0.98 MAPT (0.59) MAPTZDHHC7GPR84FFAR1CES2
SCHEMBL7096850 0.92 MAPT (0.50) MAPTZDHHC7CES2CPB2CA2
SCHEMBL28692148 0.88 MAPT (0.62) MAPTZDHHC7
SCHEMBL30151506 0.88 MAPT (0.62) MAPTZDHHC7
SCHEMBL28708750 0.88 MAPT (0.62) MAPTZDHHC7GPR84FFAR1
SCHEMBL28706856 0.88 MAPT (0.62) MAPTZDHHC7
SCHEMBL28691329 0.88 MAPT (0.62) MAPTZDHHC7

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
CN-113498562-B Electrolyte, electrochemical device, and electronic device 宁德新能源科技有限公司 2024-09-03 CN disclosed