SCHEMBL13899402

SCHEMBL13899402

C=CC(=O)OCCOC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.59
▸ HCAR2 Q8TDS4 2/20 0.50
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ TSHR P16473 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TGM2 P21980 1/20 0.46
▸ AKR1B10 O60218 3/20 0.45
▸ AKR1B1 P15121 3/20 0.45
▸ MAOB P27338 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA4 P22748 1/20 0.44

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
SCHEMBL31453304 0.87 HCAR2 (0.59) THRBHCAR2LMNAALDH1A1TSHR
SCHEMBL34054 0.86 HCAR2 (0.65) THRBHCAR2LMNAALDH1A1MAPK1
SCHEMBL28230354 0.86 HCAR2 (0.65) THRBHCAR2LMNAALDH1A1MAPK1
Benzene SCHEMBL28307095 0.86 HCAR2 (0.65) THRBHCAR2LMNAALDH1A1MAPK1
SCHEMBL318098 0.85 THRB (0.61) THRBHCAR2LMNAALDH1A1TSHR
Ethylene SCHEMBL6402744 0.84 HCAR2 (0.62) THRBHCAR2LMNAALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL11584311 0.84 HCAR2 (0.62) THRBHCAR2LMNAALDH1A1MAPK1
Methane SCHEMBL28851569 0.84 HCAR2 (0.62) THRBHCAR2LMNAALDH1A1MAPK1
Hydrochloric Acid SCHEMBL28804358 0.84 HCAR2 (0.62) THRBHCAR2LMNAALDH1A1MAPK1
SCHEMBL8767252 0.84 HCAR2 (0.62) THRBHCAR2LMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 — — US disclosed
US-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 — — US disclosed
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