SCHEMBL129112

SCHEMBL129112

CCC(O)COc1ccc(Cc2ccc(OCC(O)COc3ccc(Cc4ccc(OC(C)(O)CC)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.43
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BACE1 P56817 2/20 0.39
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
S1PR1 P21453 1/20 0.38
AR P10275 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRK1 P41145 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL130136 0.85 POLB (0.51) POLBLMNAMAPTNPSR1BACE1
SCHEMBL12305419 0.84 BACE1 (0.49) POLBLMNAMAPTNPSR1BACE1
SCHEMBL12895598 0.79 NQO1 (0.48) POLBLMNAMAPTNPSR1BACE1
SCHEMBL13093357 0.78 ADRB3 (0.51) CASRPOLBMAPTHTTKMT2A
SCHEMBL12895597 0.78 LMNA (0.53) POLBLMNAMAPTNPSR1BACE1
SCHEMBL4045324 0.78 BACE1 (0.58) POLBLMNAMAPTBACE1HTT
SCHEMBL10031081 0.77 CASR (0.40) CASRLMNABACE1HTTHIF1A
SCHEMBL19001619 0.77 AR (0.52) POLBLMNAMAPTNPSR1BACE1
SCHEMBL20244212 0.76 CASR (0.38) CASRMAPTBACE1HIF1AKMT2A
SCHEMBL12134359 0.76 NQO1 (0.52) POLBLMNAMAPTNPSR1BACE1

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
US-8703264-B2 Optical disc DIC CORPORATION (JP) 2014-04-22 US disclosed
US-20120060175-A1 OPTICAL DISC DIC CORPORATION (JP) 2012-03-08 US disclosed