SCHEMBL14705378

SCHEMBL14705378

CC(C)(C)c1cc(CS[C@H]2CCCCCC[C@@H]2SCc2cc(C(C)(C)C)cc(-n3cccc3)c2O)c(O)c(-n2cccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 6/20 0.41
▸ CYP2C19 P33261 6/20 0.41
▸ CYP1A2 P05177 5/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HIF1A Q16665 2/20 0.32
▸ CYP3A4 P08684 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL14703025 1.00 CYP2D6 (0.41) CYP2D6CYP2C19CYP1A2CYP2C9HSD17B10
SCHEMBL15003238 0.93 CYP2D6 (0.36) CYP2D6CYP2C19CYP1A2CYP2C9HSD17B10
SCHEMBL14702076 0.91 CYP2D6 (0.41) CYP2D6CYP2C19CYP1A2CYP2C9HSD17B10
SCHEMBL14703031 0.86 CYP2D6 (0.38) CYP2D6CYP2C19CYP1A2CYP2C9HSD17B10
SCHEMBL14705635 0.86 CYP2D6 (0.38) CYP2D6CYP2C19CYP1A2CYP2C9HSD17B10
SCHEMBL16077902 0.86 CYP2D6 (0.38) CYP2D6CYP2C19CYP1A2CYP2C9HSD17B10
SCHEMBL15781530 0.81 CYP2D6 (0.61) CYP2D6CYP2C19CYP1A2CYP2C9HSD17B10
SCHEMBL14703029 0.81 CYP2D6 (0.38) CYP2D6CYP2C19CYP1A2CYP2C9HSD17B10
SCHEMBL14705553 0.81 CYP2D6 (0.38) CYP2D6CYP2C19CYP1A2CYP2C9HSD17B10
SCHEMBL16077897 0.81 CYP2D6 (0.38) CYP2D6CYP2C19CYP1A2CYP2C9HSD17B10

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
US-9695260-B2 Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-04 — — US disclosed
US-9695260-B2 Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-04 — — US disclosed
US-20130041119-A1 OLEFIN POLYMER PRODUCING METHOD, ETHYLENE POLYMER, AND MOLD PRODUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-14 — — US disclosed
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