SCHEMBL12301079

SCHEMBL12301079

CC(C)(c1ccc(OCC(O)COc2ccc(C(C)(C)c3ccc(OCC4CS4)cc3)cc2)cc1)c1ccc(OCC2CS2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.55
HTT P42858 2/20 0.55
AR P10275 2/20 0.53
KMT2A Q03164 6/20 0.49
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 4/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
PPARG P37231 1/20 0.49
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MITF O75030 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL15701513 0.93 HIF1A (0.48) HIF1AHTTARKMT2AMAPT
SCHEMBL1402906 0.88 KMT2A (0.60) HIF1AHTTARKMT2AMAPT
SCHEMBL17972583 0.82 KMT2A (0.43) KMT2AMAPTMEN1ALDH1A1TSHR
SCHEMBL17972584 0.81 BACE1 (0.42) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL71111 0.81 KMT2A (0.78) HIF1AHTTARKMT2AMAPT
SCHEMBL11568438 0.81 KMT2A (0.78) HIF1AHTTARKMT2AMAPT
SCHEMBL16492078 0.81 KMT2A (0.78) HIF1AHTTARKMT2AMAPT
SCHEMBL21264339 0.79 ALDH1A1 (0.80) HIF1AHTTKMT2AMAPTMEN1
SCHEMBL3684205 0.79 MEN1 (0.47) HIF1AKMT2AMAPTMEN1ALDH1A1
SCHEMBL14275319 0.78 HIF1A (0.52) HIF1AHTTARKMT2AMAPT

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
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-8013039-B2 Encapsulant composition for a light-emitting diode INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-09-06 US disclosed
US-20090093570-A1 ENCAPSULANT COMPOSITION FOR A LIGHT-EMITTING DIODE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2009-04-09 US disclosed