SCHEMBL9863289

SCHEMBL9863289

CC(C)(C)OC(=O)Cc1ccccc1CC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.52
MTNR1B P49286 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPRC P08575 2/20 0.40
RORC P51449 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
BCHE P06276 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 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
SCHEMBL16355933 0.91 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1KDM4EALDH1A1
SCHEMBL4671563 0.91 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1KDM4EALDH1A1
SCHEMBL22532318 0.91 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1KDM4EALDH1A1
SCHEMBL16940009 0.91 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29549188 0.89 MTNR1A (0.46) MTNR1AMTNR1BL3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL22531766 0.89 MTNR1A (0.46) MTNR1AMTNR1BL3MBTL1KDM4EALDH1A1
SCHEMBL29852860 0.89 AKR1B1 (0.55) MTNR1AMTNR1BL3MBTL1CYP2C19HIF1A
SCHEMBL12318344 0.89 MTNR1A (0.48) MTNR1AMTNR1BL3MBTL1ALDH1A1MEN1
SCHEMBL5370276 0.89 AKR1B1 (0.55) MTNR1AMTNR1BL3MBTL1CYP2C19HIF1A
SCHEMBL20440667 0.88 MTNR1A (0.45) MTNR1AMTNR1BL3MBTL1PTPRC

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 3 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 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