SCHEMBL29137149

SCHEMBL29137149

CCCCCC(OCC)ON=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.41
OPRM1 P35372 1/20 0.38
TP53 P04637 1/20 0.35
FDPS P14324 4/20 0.33
GPR84 Q9NQS5 3/20 0.32
CA1 P00915 2/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
FFAR1 O14842 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
LAP3 P28838 1/20 0.31
LCK P06239 1/20 0.31
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL29137153 0.98 SMPD1 (0.44) SMPD1OPRM1TP53FDPSGPR84
SCHEMBL29137148 0.98 SMPD1 (0.44) SMPD1OPRM1TP53FDPSGPR84
SCHEMBL29137163 0.98 SMPD1 (0.44) SMPD1OPRM1TP53FDPSGPR84
SCHEMBL29137137 0.98 SMPD1 (0.44) SMPD1OPRM1TP53FDPSGPR84
SCHEMBL28010753 0.87 SMPD1 (0.47) SMPD1OPRM1TP53FDPSGPR84
SCHEMBL29137145 0.86 SMPD1 (0.40) SMPD1OPRM1TP53FDPSGPR84
SCHEMBL29137144 0.84 SMPD1 (0.43) SMPD1FDPSGPR84CA1ZDHHC7
SCHEMBL29137133 0.84 SMPD1 (0.43) SMPD1FDPSGPR84CA1ZDHHC7
SCHEMBL29137162 0.84 SMPD1 (0.43) SMPD1FDPSGPR84CA1ZDHHC7
SCHEMBL3380382 0.82 OPRM1 (0.48) SMPD1OPRM1TP53FDPSGPR84

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