SCHEMBL4977435

SCHEMBL4977435

CC=C(O)C(=O)OCCCOc1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
PLA2G4B P0C869 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL8651592 0.86 FFAR1 (0.48) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10946685 0.85 TDP1 (0.50) HTTTDP1POLBAPEX1L3MBTL1
SCHEMBL15814431 0.81 HTT (0.61) HTTTDP1POLBAPEX1PLA2G4B
SCHEMBL1263767 0.81 TDP1 (0.47) HTTTDP1POLBAPEX1PLA2G4B
SCHEMBL8356485 0.81 HDAC3 (0.40) HTTPLA2G4BL3MBTL1GAATSHR
SCHEMBL27816098 0.80 ATM (0.40) HTTPOLBPLA2G4BL3MBTL1GAA
SCHEMBL3447968 0.80 FFAR1 (0.50) HTTTDP1POLBAPEX1L3MBTL1
SCHEMBL15350 0.79 KDM4E (0.52) HTTTDP1POLBAPEX1GAA
SCHEMBL15535788 0.78 HTT (0.65) HTTTDP1POLBAPEX1PLA2G4B
SCHEMBL27890882 0.78 GAA (0.59) HTTTDP1POLBAPEX1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056431-B1 COMPOSITION FOR MAKING TEMPORARY CROWNS AND BRIDGES KERR CORP (US) 2002-10-16 EP claimed
US-5876210-A Dental polymer product DENTSPLY G.M.B.H. (DE) 1999-03-02 US claimed
WO-2021124663-A1 DENTAL ADHESIVE COMPOSITION 株式会社トクヤマデンタル 2021-06-24 WO disclosed
WO-2021111782-A1 DENTAL ADHESIVE COMPOSITION, DENTAL ADHESIVE MEMBER, AND DENTAL ADHESIVE MEMBER PACKAGING BODY 株式会社トクヤマデンタル 2021-06-10 WO disclosed
EP-1879542-A1 HARDENABLE DENTAL COMPOSITIONS WITH LOW POLYMERIZATION SHRINKAGE 3M Innovative Properties Company (US) 2008-01-23 EP disclosed
WO-2006122074-A1 HARDENABLE DENTAL COMPOSITIONS WITH LOW POLYMERIZATION SHRINKAGE 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-16 WO disclosed
US-6500879-B1 CEMENT HAS SUPERIOR ADHESION TO TOOTH WITHOUT SEPARATE ACID ETCHING OF DENTIN OR ENAMEL; SHELF STABLE GLASS OR IONOMER PATICLES COATED WITH ETHYLENICALLY UNSATURATED ESTER MONOMERS COMPLEXED WITH METAL CATIONS OF THE PARTICLE DENTSPLY RESEARCH & DEVELOPMENT CORP. 2002-12-31 US disclosed
EP-1123691-A2 Dental Composition and method DENTSPLY INTERNATIONAL, INC. (US) 2001-08-16 EP disclosed
US-5955514-A POLYMERIZABLE PHOSPHORUS AND UNSATURATED AROMATIC COMPOUNDS; STORAGE STABILITY, BONDING STRENGTH; COMPLEXING DENTSPLY RESEARCH & DEVELOPMENT CORP. (US) 1999-09-21 US disclosed
US-5688883-A CATALYTIC POLYMERIZATION OF ACRYLATES FOR DENTAL SEALS OR ADHESIVES DENTSPLY GMBH (DE) 1997-11-18 US disclosed