SCHEMBL17935775

SCHEMBL17935775

C=CC(=O)OCCCCOCC(O)COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC(COCCCCOC(=O)C=C)OC(=O)C=C)cc3)c(C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.37
MAPT P10636 6/20 0.34
LMNA P02545 3/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
GALR3 O60755 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
NPC1 O15118 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL20089572 0.96 MAPT (0.36) MAPTLMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL18904664 0.94 NPC1 (0.35) MAPTLMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL13865609 0.90 MAPT (0.39) PLA2G4BMAPTLMNATSHRSMN1; SMN2
SCHEMBL13806722 0.88 MAPT (0.39) PLA2G4BMAPTLMNAPOLBNPSR1
SCHEMBL13865576 0.87 NPC1 (0.42) PLA2G4BMAPTLMNAPOLBTSHR
SCHEMBL21207365 0.86 MAPT (0.34) MAPTLMNATSHRSMN1; SMN2KMT2A
SCHEMBL17933630 0.86 MAPT (0.34) MAPTLMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL13865610 0.86 PPARD (0.36) MAPTLMNAPOLBMAPK1KMT2A
SCHEMBL13806686 0.86 PLA2G4B (0.45) PLA2G4BMAPTLMNAPOLBTSHR
SCHEMBL17933632 0.84 NPC1 (0.37) MAPTLMNAPOLBSMN1; SMN2MAPK1

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
WO-2016114348-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC MATERIAL DIC株式会社 2016-07-21 WO disclosed