SCHEMBL3131341

SCHEMBL3131341

OC(COc1ccccc1)CSc1ccc(Sc2ccc(SCC(O)COc3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.64
KMT2A Q03164 2/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.47
CYP2D6 P10635 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARD Q03181 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL9480490 0.89 BACE1 (0.80) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL14546451 0.86 LMNA (0.53) BACE1KMT2AHSD17B10LMNACYP2D6
SCHEMBL9770465 0.84 BACE1 (0.76) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL13853192 0.82 MAPT (0.49) BACE1KMT2AHSD17B10LMNACYP2D6
SCHEMBL5476778 0.81 NPC1 (0.68) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL10338981 0.81 BACE1 (0.61) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9770321 0.81 BACE1 (0.76) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL24098294 0.81 MAOA (0.48) BACE1MAPT
SCHEMBL9770570 0.80 BACE1 (0.76) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL15263225 0.80 ADRB2 (0.52) BACE1KMT2ARAB9ALMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139878-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (DE) 2010-01-06 EP disclosed
WO-2008101806-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (CH) 2008-08-28 WO disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed