SCHEMBL15517831

SCHEMBL15517831

CCCCCCCCCCCC(OP(=O)(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.53
CETP P11597 4/20 0.46
S1PR2 O95136 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
GGPS1 O95749 5/20 0.42
FDPS P14324 7/20 0.41

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
SCHEMBL226554 1.00 SMPD1 (0.53) SMPD1CETPS1PR2S1PR4S1PR1
SCHEMBL28661089 1.00 SMPD1 (0.53) SMPD1CETPS1PR2S1PR4S1PR1
SCHEMBL28669505 1.00 SMPD1 (0.53) SMPD1CETPS1PR2S1PR4S1PR1
SCHEMBL225042 1.00 SMPD1 (0.53) SMPD1CETPS1PR2S1PR4S1PR1
SCHEMBL5980446 1.00 SMPD1 (0.53) SMPD1CETPS1PR2S1PR4S1PR1
SCHEMBL4453701 1.00 SMPD1 (0.53) SMPD1CETPS1PR2S1PR4S1PR1
SCHEMBL28665996 0.98 SMPD1 (0.50) SMPD1CETPS1PR2S1PR4S1PR1
SCHEMBL225041 0.88 CETP (0.41) SMPD1CETPGGPS1
SCHEMBL15517830 0.88 CETP (0.41) SMPD1CETPGGPS1
SCHEMBL5980441 0.88 CETP (0.41) SMPD1CETPGGPS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014035145-A1 METHOD FOR MANUFACTURING EPOXY ACRYLIC OPTICAL MATERIAL 주식회사 케이오씨솔루션 (KR) 2014-03-06 WO disclosed
WO-2014035125-A1 POLYMERIZATION COMPOSITION FOR EPOXY ACRYLIC OPTICAL MATERIAL AND METHOD FOR MANUFACTURING EPOXY ACRYLIC OPTICAL MATERIAL 주식회사 케이오씨솔루션 (KR) 2014-03-06 WO disclosed