SCHEMBL29137153

SCHEMBL29137153

CCCCCCC(OCC)ON=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.44
OPRM1 P35372 1/20 0.37
GPR84 Q9NQS5 4/20 0.35
FDPS P14324 3/20 0.35
FFAR1 O14842 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL29137148 1.00 SMPD1 (0.44) SMPD1OPRM1GPR84FDPSFFAR1
SCHEMBL29137137 1.00 SMPD1 (0.44) SMPD1OPRM1GPR84FDPSFFAR1
SCHEMBL29137163 1.00 SMPD1 (0.44) SMPD1OPRM1GPR84FDPSFFAR1
SCHEMBL29137149 0.98 SMPD1 (0.41) SMPD1OPRM1GPR84FDPSFFAR1
SCHEMBL29137144 0.86 SMPD1 (0.43) SMPD1GPR84FDPSFFAR1ZDHHC7
SCHEMBL29137133 0.86 SMPD1 (0.43) SMPD1GPR84FDPSFFAR1ZDHHC7
SCHEMBL29137162 0.86 SMPD1 (0.43) SMPD1GPR84FDPSFFAR1ZDHHC7
SCHEMBL28010753 0.85 SMPD1 (0.47) SMPD1OPRM1GPR84FDPSFFAR1
SCHEMBL29137145 0.84 SMPD1 (0.40) SMPD1OPRM1GPR84FDPSFFAR1
SCHEMBL7549190 0.83 SMPD1 (0.48) SMPD1OPRM1GPR84FDPSFFAR1

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-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed