SCHEMBL23797170

SCHEMBL23797170

CCCCCCCCCC(N=C=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
FDPS P14324 4/20 0.37
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
LAP3 P28838 1/20 0.35
SMPD1 P17405 3/20 0.34
GPR84 Q9NQS5 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR4 O95977 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
SCHEMBL22444448 1.00 OPRM1 (0.39) OPRM1FDPSMAPTTP53LAP3
SCHEMBL22444467 1.00 OPRM1 (0.39) OPRM1FDPSMAPTTP53LAP3
SCHEMBL22444837 1.00 OPRM1 (0.39) OPRM1FDPSMAPTTP53LAP3
SCHEMBL23797166 0.98 OPRM1 (0.40) OPRM1FDPSMAPTTP53LAP3
SCHEMBL22444484 0.92 FDPS (0.33) OPRM1FDPSTP53
SCHEMBL23797186 0.87 FDPS (0.36) OPRM1FDPSMAPTLAP3SMPD1
SCHEMBL23797184 0.87 FDPS (0.36) OPRM1FDPSMAPTLAP3SMPD1
SCHEMBL22444492 0.87 FDPS (0.36) OPRM1FDPSMAPTLAP3SMPD1
SCHEMBL23797195 0.87 FDPS (0.36) OPRM1FDPSMAPTLAP3SMPD1
SCHEMBL22444508 0.87 FDPS (0.36) OPRM1FDPSMAPTLAP3SMPD1

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 4 patents. 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
EP-4118161-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES Covestro Deutschland AG (DE) 2023-01-18 EP disclosed
WO-2021180709-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2021-09-16 WO disclosed
EP-3878914-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES Covestro Deutschland AG (DE) 2021-09-15 EP disclosed