SCHEMBL15035977

SCHEMBL15035977

C=CC(=O)OCCCOc1ccc(C(=O)COC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.71
▸ HTR1A P08908 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ PTGS1 P23219 1/20 0.67
▸ GLO1 Q04760 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ CNR2 P34972 1/20 0.62
▸ AKR1C3 P42330 1/20 0.62

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
SCHEMBL16204759 0.91 PTGS2 (0.71) PTGS2HTR1APKMPTGS1GLO1
SCHEMBL15036529 0.89 PTGS2 (0.75) PTGS2HTR1APKMPTGS1GLO1
SCHEMBL6754016 0.83 PTGS2 (0.88) PTGS2HTR1APKMPTGS1GLO1
SCHEMBL29170168 0.82 PTGS2 (0.86) PTGS2HTR1APKMPTGS1GLO1
SCHEMBL16008849 0.82 PTGS2 (0.84) PTGS2HTR1APKMPTGS1GLO1
SCHEMBL10732217 0.81 PTGS2 (0.77) PTGS2HTR1APKMPTGS1GLO1
SCHEMBL16010166 0.81 PTGS2 (0.84) PTGS2HTR1APKMPTGS1GLO1
SCHEMBL29103945 0.81 PTGS2 (0.82) PTGS2HTR1APKMPTGS1GLO1
SCHEMBL11174704 0.81 PTGS2 (0.85) PTGS2HTR1APKMPTGS1GLO1
SCHEMBL12609003 0.81 PTGS2 (0.85) PTGS2HTR1APKMPTGS1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353214-B2 Substituted phenacyl molecules and photoresponsive polymers THE UNIVERSITY OF AKRON (US) 2016-05-31 — — US disclosed
US-9353214-B2 Substituted phenacyl molecules and photoresponsive polymers THE UNIVERSITY OF AKRON (US) 2016-05-31 — — US disclosed
US-20140323664-A1 SUBSTITUTED PHENACYL MOLECULES AND PHOTORESPONSIVE POLYMERS THE UNIVERSITY OF AKRON 2014-10-30 — — US disclosed
US-20140323664-A1 SUBSTITUTED PHENACYL MOLECULES AND PHOTORESPONSIVE POLYMERS THE UNIVERSITY OF AKRON 2014-10-30 — — US disclosed
WO-2013090892-A1 SUBSTITUTED PHENACYL MOLECULES AND PHOTORESPONSIVE POLYMERS THE UNIVERSITY OF AKRON (US) 2013-06-20 — — WO disclosed
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