SCHEMBL714429

SCHEMBL714429

CC1=Cc2c(ccc3ccccc23)[CH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.42
HPRT1 P00492 1/20 0.39
HIF1A Q16665 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1B1 Q16678 1/20 0.37
CES1 P23141 2/20 0.36
MAPT P10636 1/20 0.34
TYMS P04818 1/20 0.34

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
SCHEMBL401275 0.78 ALDH1A1 (0.55) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL714806 0.78 ALDH1A1 (0.39) CYP2A6TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL4464838 0.76 ALDH1A1 (0.38) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL4473888 0.72 KDM4E (0.35) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL6046805 0.71 ALDH1A1 (0.42) CYP2A6TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL5086304 0.71 ALDH1A1 (0.34) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL7599660 0.69 ALDH1A1 (0.35) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL4460843 0.68 CYP1B1 (0.37) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL4464956 0.67 CYP1B1 (0.39) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL6545899 0.67 ALDH1A1 (0.52) CYP2A6TSHRALDH1A1HSD17B10TDP1

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 284 patents — showing the first 20. 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 claimed
US-7053160-B1 Metallocene monohalogenides BASELL POLYOLEFINE GMBH (DE) 2006-05-30 US claimed
US-6891004-B2 Transition metal catalyst component for polymerization, and method for producing a polymer by means thereof DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2005-05-10 US claimed
EP-0779295-B1 Metallocenes BASELL POLYOLEFINE GMBH (DE) 2004-10-20 EP claimed
EP-0779306-B1 Process for preparation of cycloolefin copolymers TICONA GMBH (DE) 2003-12-03 EP claimed
US-20030149201-A1 Transition metal catalyst component for polymerization, and method for producing a polymer by means thereof DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2003-08-07 US claimed
US-20030096926-A1 Transition metal catalyst component for polymerization and process for producing polymer with the same DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2003-05-22 US claimed
EP-1195386-A1 TRANSITION METAL CATALYST COMPONENT FOR POLYMERIZATION AND PROCESS FOR PRODUCING POLYMER WITH THE SAME DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-04-10 EP claimed
EP-1134227-A2 Methylene-bridged biscyclopentadienyl compounds Basell Polyolefine GmbH (DE) 2001-09-19 EP claimed
US-6239299-B1 POLYMERIZATION CATALYST BOREALIS TECHNOLOGY OY (FI) 2001-05-29 US claimed
US-6114556-A Metallocene compound and its use as catalyst component TARGOR GMBH (DE) 2000-09-05 US claimed
EP-1023304-A1 METALLOCENES WITH FERROCENYL-SUBSTITUTED BRIDGES USED IN OLEFIN POLYMERIZATION Borealis GmbH (AT) 2000-08-02 EP claimed
US-6040469-A Metallocene compound TARGOR GMBH (DE) 2000-03-21 US claimed
US-5945553-A Process for preparing a methylene-bridged biscyclopentadienyl compound TARGOR GMBH (DE) 1999-08-31 US claimed
WO-1999019337-A1 METALLOCENES WITH FERROCENYL-SUBSTITUTED BRIDGES USED IN OLEFIN POLYMERIZATION BOREALIS GMBH (AT) 1999-04-22 WO claimed
US-5808122-A Organometallic compound HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-15 US claimed
US-5726333-A POLYMERIZATION CATALYSTS HOECHST AG (DE) 1998-03-10 US claimed
US-11643485-B2 Ethylene-based polymer, polyethylene-based resin composition and use thereof, catalyst component for olefin polymerization, olefin polymerization catalyst containing the component, and method for producing ethylene-based polymer by using the catalyst JAPAN POLYETHYLENE CORPORATION (JP) 2023-05-09 US disclosed
WO-1994028042-A1 MULTIPHASE BLOCK COPOLYMERS OF PROPYLENE BASF AKTIENGESELLSCHAFT (DE) 1994-12-08 WO disclosed
WO-1994013713-A1 PROPYLENE HOMOPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 1994-06-23 WO disclosed