SCHEMBL12464752

SCHEMBL12464752

COCCOc1c(C)cc(-c2cc(C)c(OCC3CO3)c(C)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PTPN1 P18031 1/20 0.32
DRD4 P21917 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL13117147 0.90 ALDH1A1 (0.50) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL49658 0.90 ALDH1A1 (0.50) ALDH1A1GLATSHRTP53HIF1A
Water SCHEMBL7640555 0.88 ALDH1A1 (0.49) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL13931284 0.87 ALDH1A1 (0.45) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL2829255 0.85 TSHR (0.46) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL24842054 0.85 ALDH1A1 (0.46) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL14473423 0.84 ALDH1A1 (0.41) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL19277013 0.84 ALDH1A1 (0.41) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL1235711 0.82 CA1 (0.47) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL1108324 0.82 ALDH1A1 (0.44) ALDH1A1GLATSHRTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544341-B2 Thermally conductive polymer composition and thermally conductive molded object NITTO DENKO CORPORATION (JP) 2020-01-28 US disclosed
US-20170081579-A1 THERMALLY CONDUCTIVE POLYMER COMPOSITION AND THERMALLY CONDUCTIVE MOLDED OBJECT NITTO DENKO CORPORATION (JP) 2017-03-23 US disclosed
US-20170022407-A1 THERMALLY CONDUCTIVE POLYMER COMPOSITION AND THERMALLY CONDUCTIVE MOLDING NITTO DENKO CORPORATION (JP) 2017-01-26 US disclosed
US-7986050-B2 Epoxy resin composition for optical semiconductor element encapsulation and optical semiconductor device using the same NITTO DENKO CORPORATION (JP) 2011-07-26 US disclosed
US-20100019271-A1 EPOXY RESIN COMPOSITION FOR OPTICAL SEMICONDUCTOR ELEMENT ENCAPSULATION AND OPTICAL SEMICONDUCTOR DEVICE USING THE SAME NITTO DENKO CORPORATION (JP) 2010-01-28 US disclosed