SCHEMBL17635391

SCHEMBL17635391

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nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ TBXA2R P21731 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ MVD P53602 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ CPT2 P23786 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL599363 0.84 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AMVD
SCHEMBL1286788 0.84 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AMVD
SCHEMBL18376075 0.84 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AMVD
SCHEMBL14864444 0.79 HMGCR (0.54) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL15259178 0.79 HMGCR (0.58) HMGCRCHRM1TBXA2RADRA1AMVD
SCHEMBL16882025 0.79 HMGCR (0.58) HMGCRCHRM1TBXA2RADRA1AMVD
Diphosphomelavonate SCHEMBL183248 0.78 MVD (0.64) HMGCRCHRM1TBXA2RADRA1AMVD
Diphosphomelavonate SCHEMBL29398109 0.78 MVD (0.64) HMGCRCHRM1TBXA2RADRA1AMVD
Diphosphomelavonate SCHEMBL3272270 0.78 MVD (0.64) HMGCRCHRM1TBXA2RADRA1AMVD
SCHEMBL15258419 0.76 MVD (0.47) HMGCRCHRM1TBXA2RADRA1AMVD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296850-B2 Polymers of isoprene from renewable resources THE GOODYEAR TIRE & RUBBER COMPANY (US) 2016-03-29 — — US disclosed
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