SCHEMBL9863117

SCHEMBL9863117

CCCCOC(=O)C1CCSC1C(=O)OCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NAAA Q02083 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
MAPK1 P28482 2/20 0.32

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
SCHEMBL9863118 0.91 ALDH1A1 (0.38) ALDH1A1ATMCHRM2CHRM4CHRM5
SCHEMBL8969232 0.84 ALDH1A1 (0.40) ALDH1A1ATMCHRM2CHRM4CHRM5
SCHEMBL8970266 0.79 NAAA (0.40) ALDH1A1TSHRHCAR2SMN1; SMN2NAAA
SCHEMBL7669796 0.79 ALDH1A1 (0.52) ALDH1A1ATMCHRM2CHRM4CHRM5
SCHEMBL7669797 0.79 ALDH1A1 (0.52) ALDH1A1ATMCHRM2CHRM4CHRM5
SCHEMBL8970689 0.78 NAAA (0.42) ALDH1A1TSHRHCAR2LMNASMN1; SMN2
SCHEMBL8970078 0.78 NAAA (0.42) ALDH1A1TSHRHCAR2LMNASMN1; SMN2
SCHEMBL8969475 0.78 NAAA (0.42) ALDH1A1TSHRHCAR2LMNASMN1; SMN2
SCHEMBL8970637 0.78 NAAA (0.42) ALDH1A1TSHRHCAR2LMNASMN1; SMN2
SCHEMBL8969139 0.78 NAAA (0.42) ALDH1A1TSHRHCAR2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075396-A Coordination catalyst comprising magnesium, titanium, halogen, aluminum, an organosilicon compound and a heterocyclic diester as electron donor; durability; stereospecific MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-12-24 US claimed
EP-1840138-B1 PROCESS FOR PRODUCING OLEFIN POLYMER AND SOLID TITANIUM CATALYST COMPONENT MITSUI CHEMICALS INC (JP) 2013-12-11 EP disclosed
US-5075396-A Coordination catalyst comprising magnesium, titanium, halogen, aluminum, an organosilicon compound and a heterocyclic diester as electron donor; durability; stereospecific MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-12-24 US disclosed
EP-0115195-B1 CATALYST COMPOSITION FOR USE IN THE POLYMERIZATION OF OLEFINS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-09-26 EP disclosed
US-4841003-A CCODINATION CATALYST CONTAINING MAGNESIUM, TITANIUM, HALOGEN, LEWIS BASE AND ORGANOALUMINUM COMPOUNDS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-20 US disclosed
US-4725656-A COORDINATION CATALYST COMPRISING MAGNESIUM TITANIUM, ALUMINUM, ORGANO SILICON COMPOUNDS, AND POLYESTERS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 US disclosed
US-4725656-A COORDINATION CATALYST COMPRISING MAGNESIUM TITANIUM, ALUMINUM, ORGANO SILICON COMPOUNDS, AND POLYESTERS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 US disclosed
EP-0115195-A1 Catalyst composition for use in the polymerization of olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-08-08 EP disclosed