SCHEMBL6049758

SCHEMBL6049758

CC1=C([Zr](C)(C)(=[SiH2])C2=C(C)Cc3ccc4ccccc4c32)c2c(ccc3ccccc23)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
CYP2A6 P11509 3/20 0.34
TSHR P16473 3/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
HIF1A Q16665 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPRT1 P00492 1/20 0.31
ANPEP P15144 1/20 0.31
WDR5 P61964 1/20 0.31
DNMT1 P26358 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
Hydrochloric Acid SCHEMBL4593408 0.98 MAPT (0.34) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL2537256 0.98 MAPT (0.34) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL6434885 0.83 MAPT (0.34) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL5514220 0.80 KDM4E (0.33) MAPTCYP1A2ALDH1A1TDP1HPGD
SCHEMBL3199427 0.74 MAPT (0.37) MAPTCYP2A6TSHRCYP1A2ALDH1A1
SCHEMBL3965887 0.73 MAPT (0.39) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL5512611 0.73 MEN1 (0.31)
SCHEMBL5702791 0.72 MAPT (0.38) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Bromide SCHEMBL28815167 0.72 MAPT (0.38) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Iodide SCHEMBL28815180 0.72 MAPT (0.38) MAPTCYP2A6TSHRCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252202-B1 PARTLY CRYSTALLINE PROPYLENE POLYMERISATE COMPOSITION FOR PRODUCTION OF BIAXIAL-STRETCHED POLYPROPYLENE FILMS BASELL POLYOLEFINE GMBH (DE) 2006-02-22 EP claimed