SCHEMBL7601535

SCHEMBL7601535

COc1ccc2c(c1)C([Zr](C)(C)C1C(c3cccc4ccccc34)=C(C)c3ccccc31)c1ccc(OC)c(OC)c1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 4/20 0.33
CYP19A1 P11511 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31

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
SCHEMBL796856 0.86 CNR2 (0.33) HIF1ASMN1; SMN2ALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL8606718 0.80 MAPT (0.34) HIF1ASMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL7598157 0.72 NPC1 (0.33) ALDH1A1LMNARAB9ANPC1CYP2D6
SCHEMBL7627235 0.69 MYB (0.35)
SCHEMBL20101688 0.64 CYP1A2 (0.57) SMN1; SMN2ALDH1A1HTTTP53MEN1
SCHEMBL2698582 0.63 MAPT (0.51) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL29428421 0.63 MAPT (0.51) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL27409851 0.63 CYP1A1 (0.42) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL12989388 0.61 CYP11B1 (0.52) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7699015 0.60 MAPT (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed
US-6255531-B1 POLYMERIZATION CATALYSTS TARGOR GMBH (DE) 2001-07-03 US disclosed