SCHEMBL64463

SCHEMBL64463

CCC(O)CN(CC(O)CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.40
RXRB P28702 6/20 0.40
RXRG P48443 6/20 0.40
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
CETP P11597 1/20 0.31
HMGCR P04035 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
SCHEMBL2785505 0.74 RXRA (0.50) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL43496 0.69 GABRA1 (0.43) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL3536621 0.69 TSHR (0.44) CYP2D6CYP3A4TSHRCETP
SCHEMBL3537961 0.68 CYP2C19 (0.41) CYP2C19TSHRCETP
SCHEMBL64462 0.68 RXRB (0.46) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL18995910 0.68 CETP (0.47) CYP3A4CETP
SCHEMBL7931675 0.67 GABRA1 (0.44) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL20815361 0.67 LMNA (0.45) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL1632396 0.67 TDP1 (0.55) CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL88554 0.66 RXRA (0.50) RXRARXRBRXRGGABRA1GABRB2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117580559-A Dental cement composition, kit of parts and use thereof 3M创新有限公司 2024-02-20 CN disclosed
CN-112055579-B One-component dental adhesive composition for fixing dental composite materials 3M创新有限公司 2024-01-23 CN disclosed
CN-111315341-B Dental composition with high E-modulus 3M创新有限公司 2021-06-04 CN disclosed
CN-112055579-A One-component dental adhesive composition for fixing dental composite material 3M创新有限公司 2020-12-08 CN disclosed
US-8129444-B2 Self-adhesive dental materials 3M ESPE AG (DE) 2012-03-06 US disclosed
EP-1387657-B1 SELF-ADHESIVE DENTAL MATERIALS 3M ESPE AG (DE) 2009-10-28 EP disclosed
US-7456232-B2 Use of branched polyacids in dental compounds 3M ESPE AG (DE) 2008-11-25 US disclosed
EP-1337222-B1 UTILIZATION OF POLYACIDS HAVING A TIGHT MOLAR MASS DISTRIBUTION 3M ESPE AG (DE) 2008-03-26 EP disclosed
EP-1337221-B1 USE OF BRANCHED POLYACIDS IN DENTAL COMPOUNDS 3M ESPE AG (DE) 2007-08-08 EP disclosed
US-7141616-B2 Radically curable urethane prepolymers and their use in dental materials 3M ESPE AG (DE) 2006-11-28 US disclosed
US-20040110864-A1 Self-adhesive dental materials 3M ESPE AG (DE) 2004-06-10 US disclosed
EP-1242493-B1 RADICALLY CURABLE URETHANE PREPOLYMERS AND THEIR USE IN DENTAL MATERIALS ESPE DENTAL AG (DE) 2003-10-08 EP disclosed
EP-1222220-B1 FILLER FOR PLASTIC FORMULATIONS BASED ON POLYURETHANE 3M ESPE AG (DE) 2003-08-13 EP disclosed
EP-0717977-B1 Fluoride releasing dental composite material 3M ESPE AG (DE) 2003-03-19 EP disclosed
US-20030008967-A1 Radically curable urethane prepolymers and their use in dental materials 3M INNOVATIVE PROPERTIES COMPANY 2003-01-09 US disclosed
US-5968998-A ADDITIONALLY CONTAINING SPECIFIED UNSATURATED ARYL COMPOUND TO LENGTHEN SETTING TIME ESPE STIFTUNG & CO. PRODUKTIONS-UND VERTRIEBS KG (DE) 1999-10-19 US disclosed
US-5824720-A DI OR MULTI(METH)ACRYLATES, INITIATORS, ACTIVATORS, FILLERS AND FLUORIDE COMPLEXES FOR DENTAL FILLING THERA PATENT GMBH & CO. KG GESELLSCHAFT FUR INDUSTRIELLE SCHUTZRECHTE (DE) 1998-10-20 US disclosed
US-5583164-A FREE RADICAL POLYMERIZATION; DELAY CURING ESPE STIFTUNG & CO. PRODUKTIONS-UND VERTRIEBS KG (DE) 1996-12-10 US disclosed
EP-0717977-A2 Fluoride releasing dental composite material THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1996-06-26 EP disclosed
EP-0374824-B1 DENTAL COMPOSITIONS CONTAINING BIFUNCTIONAL ACRYLIC OR METHACRYLIC ACID ESTERS THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1993-09-22 EP disclosed