SCHEMBL9863071

SCHEMBL9863071

CCCCCCCCN1CCC(C(=O)O)C1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.48
S1PR5 Q9H228 4/20 0.40
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR4 O95977 1/20 0.40
KCNH2 Q12809 1/20 0.40
GBA2 Q9HCG7 2/20 0.40
BCHE P06276 5/20 0.39
GNAI3 P08754 3/20 0.37
GNAO1 P09471 3/20 0.37
GNAI1 P63096 3/20 0.37

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
SCHEMBL10853881 0.85 GBA1 (0.56) GBA1GBA2
SCHEMBL8875789 0.85 GBA1 (0.56) GBA1GBA2
SCHEMBL8879898 0.85 GBA1 (0.56) GBA1GBA2
SCHEMBL455365 0.85 GBA1 (0.56) GBA1GBA2
SCHEMBL9555193 0.85 GBA1 (0.56) GBA1GBA2
SCHEMBL8893021 0.78 GBA2 (0.54) GBA1KCNH2GBA2
SCHEMBL12846762 0.78 GBA2 (0.54) GBA1KCNH2GBA2
SCHEMBL8984709 0.78 GBA2 (0.54) GBA1KCNH2GBA2
SCHEMBL28572785 0.78 GBA1 (0.47) GBA1S1PR5S1PR1S1PR3S1PR4
Palmitamide SCHEMBL1072216 0.78 GBA1 (0.49) GBA1GBA2BCHEGNAI3GNAO1

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 7 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
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
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
EP-0115195-A1 Catalyst composition for use in the polymerization of olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-08-08 EP disclosed