SCHEMBL7032648

SCHEMBL7032648

CC1=C([Ti]C2=C(C)C=CC2)CC=C1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TAAR1 Q96RJ0 4/20 0.34
ATM Q13315 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MGLL Q99685 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2488462 0.80
Fluoride SCHEMBL1130991 0.78
Hydrochloric Acid SCHEMBL28230991 0.78
Methylene Chloride SCHEMBL9352859 0.77
Methane SCHEMBL9352861 0.76
Hydrochloric Acid SCHEMBL16949838 0.76
SCHEMBL4868254 0.75 MAOB (0.35) MAOAMAOBKCNH2ALDH1A1HPGD
Ethyl Chloride SCHEMBL8143420 0.75
SCHEMBL8779522 0.71
SCHEMBL819650 0.67 MAOA (0.38) MAOAMAOBKCNH2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811628-B1 METHYLALUMINO-OXY COMPOUNDS AND CATALYSTS FOR THE PREPARATION O POLYMERS CONTAINING THE SAME IDEMITSU PETROCHEMICAL CO (JP) 2003-03-05 EP disclosed
EP-0742233-B1 METHOD OF CONTROLLING MOLECULAR WEIGHT OF STYRENIC POLYMER IDEMITSU KOSAN CO (JP) 2002-02-27 EP disclosed
US-6277934-B1 A SYNDIOTACTIC HOMO- OR COPOLYMER FROM A STYRENIC COMPOUND IN THE PRESENCE OF A METALLOCENE OF HIGH, STABLE ACTIVITY COMPRISING A TITANIUM COMPOUND AND AN ORGANIC ALUMINOXY COMPOUND OF SPECIFIC NUCLEAR MAGNETIC RESONANCE SPECTRUM IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6034191-A Organic aluminoxy compound and catalyst for producing polymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-03-07 US disclosed
EP-0769504-B1 PROCESS FOR PRODUCING STYRENIC POLYMER IDEMITSU KOSAN CO (JP) 1999-11-24 EP disclosed
US-5917073-A Organic aluminoxy compound and catalyst for producing polymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1999-06-29 US disclosed
US-5824753-A MULTISTAGE POLYMERIZATION TO PRODUCE SYNDIOTACTIC CONFIGURATION, HYDROGEN INTRODUCED IN ONE STAGE IDEMITSU KOSAN CO., LTD. (JP) 1998-10-20 US disclosed
US-5739227-A USING CATALYSTS COMPRISING TRANSITION METAL COMPOUND, ALUMOXANE OR COORDINATED COMPLEX, ALKYLATING AGENT, AND ORGANOMETALLIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 1998-04-14 US disclosed
EP-0811628-A1 ORGANIC ALUMINO-OXY COMPOUNDS AND CATALYSTS FOR THE PREPARATION O POLYMERS CONTAINING THE SAME IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1997-12-10 EP disclosed
EP-0769504-A1 PROCESS FOR PRODUCING STYRENIC POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-04-23 EP disclosed
EP-0742233-A1 METHOD OF CONTROLLING MOLECULAR WEIGHT OF STYRENIC POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-11-13 EP disclosed