SCHEMBL5161561

SCHEMBL5161561

C=C(C)C(=O)Oc1cccc(CCC)c1O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
PRKCI P41743 1/20 0.43
ELANE P08246 2/20 0.42
IAPP P10997 4/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL15496005 0.89 GABRA1 (0.52) ALOX5PTGS2ELANEIAPPPPARG
SCHEMBL27438656 0.86 PRKCI (0.47) PRKCIELANEGABRA1GABRB2THRB
SCHEMBL31572664 0.86 THRA (0.51) PTGS2ELANEPPARGPPARATHRA
SCHEMBL4596507 0.86 THRA (0.51) PTGS2ELANEPPARGPPARATHRA
SCHEMBL28837696 0.86 PPARG (0.54) ALOX5PTGS2PRKCIELANEIAPP
SCHEMBL10632040 0.85 PPARA (0.41) ALOX5PTGS2PRKCIELANEPPARG
SCHEMBL28731346 0.85 ALOX5 (0.43) ALOX5PTGS2PRKCIELANETHRB
SCHEMBL6851060 0.83 THRA (0.49) PTGS2ELANEPPARGPPARATHRA
SCHEMBL5678227 0.83 ALOX5 (0.51) ALOX5PTGS2PRKCIELANEIAPP
SCHEMBL27863247 0.81 THRB (0.60) ALOX5PTGS2PRKCIELANEIAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049442-B2 REBASE MATERIAL FOR PROSTHESIS AND METHOD FOR THE PRODUCTION THEREOF KETTENBACH GMBH & CO KG (DE) 2007-03-07 EP claimed
EP-1049442-B1 REBASE MATERIAL FOR PROSTHESIS AND METHOD FOR THE PRODUCTION THEREOF KETTENBACH GMBH & CO KG (DE) 2001-12-19 EP claimed
CN-113099718-B Imidazole/thiol polymerization initiation system 登士柏希罗纳有限公司 2024-02-13 CN disclosed
CN-112839981-B dental composition 登士柏德特里有限公司 2023-11-17 CN disclosed
CN-112638348-B Method and composition for stabilizing nanogels and dental compositions produced from nanogels 登士柏希罗纳有限公司 2023-10-24 CN disclosed
CN-113164329-B Composition and method for antibacterial nanogels and hydrolytically stable antibacterial nanogels for dental compositions 登士柏希罗纳有限公司 2023-10-03 CN disclosed