SCHEMBL7035302

SCHEMBL7035302

C=[Ti](C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
BLM P54132 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL7028986 0.85 PNMT (0.35) PNMTRAB9ANPC1APAF1ALDH1A1
SCHEMBL7029454 0.85 PNMT (0.44) PNMTRAB9ANPC1APAF1ALDH1A1
SCHEMBL7027733 0.84 PNMT (0.34) PNMTRAB9ANPC1APAF1ALDH1A1
SCHEMBL7634976 0.84 PNMT (0.34) PNMTRAB9ANPC1APAF1ALDH1A1
SCHEMBL7030963 0.78 MAOA (0.35) ALDH1A1CASP1HSD17B10
SCHEMBL7028960 0.75 PNMT (0.42) PNMTRAB9ANPC1APAF1ALDH1A1
SCHEMBL6272386 0.74 PNMT (0.36) PNMTRAB9ANPC1DRD2DRD4
SCHEMBL6675328 0.74 PNMT (0.36) PNMTRAB9ANPC1DRD2DRD4
SCHEMBL8169457 0.74 PNMT (0.36) PNMTRAB9ANPC1DRD2DRD4
SCHEMBL6271159 0.74 NPC1 (0.41) PNMTRAB9ANPC1ALDH1A1DRD2

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