SCHEMBL23797175

SCHEMBL23797175

CCCCCC(N=C=O)OC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.35
LAP3 P28838 2/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
FDPS P14324 4/20 0.32
SMPD1 P17405 3/20 0.32
GPR84 Q9NQS5 3/20 0.31
SPHK1 Q9NYA1 1/20 0.31
FFAR1 O14842 1/20 0.31
CA1 P00915 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
SCHEMBL22444549 0.98 ZDHHC7 (0.38) OPRM1ZDHHC7LAP3MAPTTP53
SCHEMBL23797164 0.98 ZDHHC7 (0.38) OPRM1ZDHHC7LAP3MAPTTP53
SCHEMBL22444563 0.98 ZDHHC7 (0.38) OPRM1ZDHHC7LAP3MAPTTP53
SCHEMBL23797146 0.98 ZDHHC7 (0.38) OPRM1ZDHHC7LAP3MAPTTP53
SCHEMBL22444553 0.94 CA1 (0.34) FDPSCA1
SCHEMBL23797154 0.86 OPRM1 (0.38) OPRM1ZDHHC7LAP3MAPTTP53
SCHEMBL22444575 0.85
SCHEMBL23797199 0.84 MAPT (0.38) OPRM1ZDHHC7LAP3MAPTTP53
SCHEMBL23797157 0.84 MAPT (0.38) OPRM1ZDHHC7LAP3MAPTTP53
SCHEMBL23797203 0.84 MAPT (0.38) OPRM1ZDHHC7LAP3MAPTTP53

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