SCHEMBL7768291

SCHEMBL7768291

Cc1cccc(Cc2[c]cccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
P2RX7 Q99572 1/20 0.32
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
HTR1B P28222 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARG P37231 1/20 0.30
LMNA P02545 1/20 0.30
CNR2 P34972 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL3237939 0.87 TAAR1 (0.41) TAAR1P2RX7TSHRACHELMNA
SCHEMBL12816094 0.86 CYP1A2 (0.31) TSHR
SCHEMBL3306785 0.76 ESR1 (0.47) ESR1ESR2TP53GAAMAPT
SCHEMBL12816722 0.75 ESR1 (0.36) ESR1ESR2TP53GAAMAPT
SCHEMBL6546855 0.74 TAAR1 (0.46) ESR1ESR2TP53GAAMAPT
SCHEMBL11606268 0.74 TAAR1 (0.42) TP53GAAMAPTTAAR1TSHR
SCHEMBL28377458 0.74 RAB9A (0.40) TP53GAAMAPTTSHRCYP3A4
SCHEMBL15031 0.73 CALM1 (0.32)
SCHEMBL6135481 0.73 CYP2C19 (0.46) GAAMAPTMAPK1TAAR1CYP3A4
SCHEMBL1276090 0.72 CALM1 (0.48) ESR1ESR2TSHRCYP3A4CYP2C19

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
US-8937195-B2 Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-20 US disclosed
EP-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 EP disclosed
US-20140018564-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
WO-2012133935-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
EP-0786926-B1 Light-emitting material for organo-electroluminescence device and organo-electroluminescence devive for which the light-emitting material is adapted TOYO INK MFG CO (JP) 2001-08-22 EP disclosed
US-5811834-A Light-emitting material for organo-electroluminescence device and organo-electroluminescence device for which the light-emitting material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1998-09-22 US disclosed
EP-0786926-A2 Light-emitting material for organo-electroluminescence device and organo-electroluminescence devive for which the light-emitting material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1997-07-30 EP disclosed
US-3931365-A AMMONIUM OR METAL THIOSULFATE, SULFITE OR BISULFITE STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed
US-3931361-A DITHIONITE OR FORMALDEHYDE SULFOXYLATE STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed
US-3931363-A ORGANO-ALUMINUM STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed