SCHEMBL5178596

SCHEMBL5178596

Cl[Zr](Cl)C1=CCc2ccc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPRT1 P00492 1/20 0.34
MAPT P10636 1/20 0.34
WDR5 P61964 1/20 0.33
PAX8 Q06710 1/20 0.33
ANPEP P15144 1/20 0.33
DNMT1 P26358 1/20 0.33
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CYP1A2 P05177 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CES1 P23141 1/20 0.31
GPR84 Q9NQS5 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 SCHEMBL6055694 0.78 MAPT (0.34) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL21245428 0.74 ALDH1A1 (0.38) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29442969 0.73 ALDH1A1 (0.41) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29728536 0.73 MAPT (0.41) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL21245429 0.72 CYP2A6 (0.37) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL5178593 0.71 ALDH1A1 (0.39) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL15863692 0.70
SCHEMBL20528892 0.70 ALDH1A1 (0.38) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL7153125 0.69 WDR5 (0.37) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL11319562 0.68 WDR5 (0.51) ALDH1A1HSD17B10TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1195386-B1 TRANSITION METAL CATALYST COMPONENT FOR POLYMERIZATION AND PROCESS FOR PRODUCING POLYMER WITH THE SAME DENKI KAGAKU KOGYO KK (JP) 2007-06-20 EP disclosed
EP-1041092-B1 ETHYLENE/AROMATIC VINYL COPOLYMER AND PROCESS FOR PRODUCING THE SAME DENKI KAGAKU KOGYO KK (JP) 2005-11-02 EP disclosed
US-6410673-B1 MOLDING MATERIALS DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-06-25 US disclosed
EP-1041092-A1 ETHYLENE/AROMATIC VINYL COPOLYMER AND PROCESS FOR PRODUCING THE SAME DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-10-04 EP disclosed