SCHEMBL2234571

SCHEMBL2234571

C1=CC(Cc2ccccc2)=C([Zr]C2=C(Cc3ccccc3)C=CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL3837766 0.98 CALM1 (0.39) CALM1CYP3A4KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL3680937 0.98 CALM1 (0.39) CALM1CYP3A4KDM4EMAPTLMNA
Fluoride SCHEMBL1131271 0.98 CALM1 (0.39) CALM1CYP3A4KDM4EMAPTLMNA
SCHEMBL4576265 0.83 CALM1 (0.31) CALM1
Hydrochloric Acid SCHEMBL3683526 0.83 KDM4E (0.33) CALM1CYP3A4KDM4EMAPT
Fluoride SCHEMBL1130979 0.81 MAOA (0.35) MAOAMAOBTAAR1HPGDALOX15
Fluoride SCHEMBL1131527 0.79 HTR2A (0.39) MAOAMAOBADRA1A
SCHEMBL6209507 0.79 TP53 (0.38) MAOAMAOBTAAR1ADRA2AADRA1A
SCHEMBL4576935 0.77 CALM1 (0.41) CALM1CYP3A4LMNAMAOAMAOB
(Chloromethyl)Benzene SCHEMBL6208839 0.76 TP53 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799726-B1 TRIALKYLALUMINUM TREATED SUPPORTS EXXONMOBIL CHEM PATENTS INC (US) 2011-07-13 EP claimed
EP-0798315-B1 Process for preparing highly active, stable metallocene catalyst systems, and catalyst compositions prepared according therewith WITCO GMBH (DE) 1997-10-29 EP claimed
EP-1325073-B1 METALLOCENE-PRODUCED VERY LOW DENSITY POLYETHYLENES EXXONMOBIL CHEM PATENTS INC (US) 2007-05-09 EP disclosed
EP-0507876-A1 SUPPORTED IONIC METALLOCENE CATALYSTS FOR OLEFIN POLYMERIZATION. EXXON CHEMICAL PATENTS INC (US) 1992-10-14 EP disclosed
WO-1991009882-A1 SUPPORTED IONIC METALLOCENE CATALYSTS FOR OLEFIN POLYMERIZATION EXXON CHEMICAL PATENTS INC. (US) 1991-07-11 WO disclosed