SCHEMBL8736083

SCHEMBL8736083

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nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ FFAR1 O14842 1/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 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
SCHEMBL12514053 0.86 HMGCR (0.45) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL16882025 0.78 HMGCR (0.58) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL15259178 0.78 HMGCR (0.58) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL14508457 0.76 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL14864444 0.74 HMGCR (0.54) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL16882027 0.73 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL1286788 0.72 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL18376075 0.72 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL599363 0.72 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AFFAR1
Meglutol SCHEMBL28443 0.71 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1AFFAR1

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
EP-1778831-B1 GENETICALLY MODIFIED HOST CELLS AND USE OF SAME FOR PRODUCING ISOPRENOID COMPOUNDS UNIV CALIFORNIA (US) 2012-05-23 — — EP disclosed
EP-2298859-A2 Genetically modified host cells and use of same for producing isoprenoid compounds The Regents of the University of California (US) 2011-03-23 — — EP disclosed
US-20080171378-A1 Transgenic cell expressing mevalonate pathway enzymes, increased prenyltransferase and decreased levels of squalene synthase for use as bioreactor in production of isoprenoids and precursor compound EUAGORE, LLC 2008-07-17 — — US disclosed
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