SCHEMBL2786708

SCHEMBL2786708

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 7/20 0.67
CYP2C9 P11712 6/20 0.67
HIF1A Q16665 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HSPA5 P11021 2/20 0.63
CYP2D6 P10635 3/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 4/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
HSP90AA1 P07900 1/20 0.44
POLB P06746 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
SCHEMBL30903568 0.98 HSPA5 (0.66) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5
SCHEMBL29500375 0.98 HSPA5 (0.66) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5
SCHEMBL39554 0.98 HSPA5 (0.66) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5
SCHEMBL3685892 0.96 HSPA5 (0.63) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5
SCHEMBL8055757 0.93 CYP2C19 (0.80) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5
SCHEMBL4457370 0.93 HSPA5 (0.62) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5
SCHEMBL14431780 0.89 HSPA5 (0.61) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5
Phosphoric Acid SCHEMBL537656 0.89 HSPA5 (0.56) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5
SCHEMBL31281158 0.89 HSPA5 (0.83) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5
SCHEMBL3405340 0.88 HSPA5 (0.54) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5

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-8273678-B2 Highly active catalysts for alkylene oxide polymerization DOW GLOBAL TECHNOLOGIES LLC (US) 2012-09-25 US disclosed
EP-2152778-B1 HIGHLY ACTIVE CATALYSTS FOR ALKYLENE OXIDE POLYMERIZATION DOW GLOBAL TECHNOLOGIES INC (US) 2010-09-22 EP disclosed
US-20100197873-A1 HIGHLY ACTIVE CATALYSTS FOR ALKYLENE OXIDE POLYMERIZATION DDP SPECIALTY ELECTRONIC MATERIALS US, LLC. 2010-08-05 US disclosed
EP-2152778-A1 HIGHLY ACTIVE CATALYSTS FOR ALKYLENE OXIDE POLYMERIZATION Dow Global Technologies Inc. (US) 2010-02-17 EP disclosed
WO-2008134118-A1 HIGHLY ACTIVE CATALYSTS FOR ALKYLENE OXIDE POLYMERIZATION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-11-06 WO disclosed