SCHEMBL14703863

SCHEMBL14703863

CC(C)(C)c1cc(Br)c(O)c(CBr)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 7/20 0.67
▸ CYP2C19 P33261 4/20 0.67
▸ CYP2C9 P11712 4/20 0.67
▸ CYP1A2 P05177 4/20 0.67
▸ HIF1A Q16665 3/20 0.67
▸ TSHR P16473 5/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ ALOX15 P16050 3/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ CHEK1 O14757 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ RET P07949 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PIM1 P11309 1/20 0.43

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
SCHEMBL29516681 0.88 CYP2C19 (0.59) CYP2D6CYP2C19CYP2C9CYP1A2HIF1A
SCHEMBL1230307 0.85 CYP2C19 (0.67) CYP2D6CYP2C19CYP2C9CYP1A2HIF1A
SCHEMBL11777742 0.85 CYP2C19 (0.67) CYP2D6CYP2C19CYP2C9CYP1A2HIF1A
SCHEMBL11408942 0.83 CYP2C19 (0.65) CYP2D6CYP2C19CYP2C9CYP1A2HIF1A
SCHEMBL15003247 0.82 CYP2C19 (0.48) CYP2D6CYP2C19CYP2C9CYP1A2HIF1A
SCHEMBL14702157 0.82 CYP2C19 (0.50) CYP2D6CYP2C19CYP2C9CYP1A2HIF1A
SCHEMBL27675653 0.81 CYP2C19 (0.63) CYP2D6CYP2C19CYP2C9CYP1A2HIF1A
Hydrochloric Acid SCHEMBL11493232 0.81 CYP2D6 (0.63) CYP2D6CYP2C19CYP2C9CYP1A2HIF1A
SCHEMBL727292 0.81 TSHR (0.73) CYP2D6CYP2C19CYP2C9CYP1A2HIF1A
SCHEMBL9994766 0.81 ALDH1A1 (0.48) CYP2D6CYP2C19CYP2C9CYP1A2HIF1A

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-9593194-B2 Method for producing olefin block polymer using group 4 transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-14 — — US disclosed
US-9593194-B2 Method for producing olefin block polymer using group 4 transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-14 — — US disclosed
US-20140163173-A1 METHOD FOR PRODUCING OLEFIN BLOCK POLYMER USING GROUP 4 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-12 — — US disclosed
US-20140163173-A1 METHOD FOR PRODUCING OLEFIN BLOCK POLYMER USING GROUP 4 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-12 — — US disclosed
WO-2013022108-A1 OLEFIN POLYMERIZATION CATALYST AND METHOD FOR PRODUCING OLEFIN POLYMER 住友化学株式会社 (JP) 2013-02-14 — — WO disclosed
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