SCHEMBL9863239

SCHEMBL9863239

CC(C)COC(=O)c1cc[nH]c1C(=O)OCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 2/20 0.59
KDM4E B2RXH2 1/20 0.46
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CACNA1F O60840 3/20 0.38

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
SCHEMBL163216 0.83 ALDH1A1 (0.59) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL2069470 0.81 KMT2A (0.56) ALDH1A1TSHRKDM4EMAPTKMT2A
SCHEMBL9863516 0.78 ALDH1A1 (0.58) ALDH1A1TSHRKDM4ETDP1KMT2A
SCHEMBL42787 0.74 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL29387332 0.74 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL28614232 0.74 TSHR (0.71) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL8144263 0.74 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL827863 0.74 TSHR (0.70) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL27345462 0.73 ALDH1A1 (0.96) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL27494884 0.73 ALDH1A1 (0.96) ALDH1A1TSHRKDM4EMAPTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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