SCHEMBL2586587

SCHEMBL2586587

CCc1c(C(=O)O)ccc(N(C)C)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
GAA P10253 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL5954933 0.86 PPARA (0.48) ALDH1A1MAPTPPARAPPARG
SCHEMBL2783784 0.86 PPARA (0.48) ALDH1A1MAPTPPARAPPARG
SCHEMBL7148998 0.85 GABRP (0.39) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL14814150 0.85 ALDH1A1 (0.35) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL5135595 0.84 GABRP (0.42) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL294836 0.84 CYP1A2 (0.50) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL1482745 0.84 ALDH1A1 (0.48) ALDH1A1GAATSHRSMN1; SMN2MAPT
SCHEMBL9900697 0.77 RARB (0.41) ALDH1A1TSHRSMN1; SMN2TP53KDM4E
SCHEMBL10597594 0.77 CNR2 (0.41) ALDH1A1TSHRSMN1; SMN2TP53KDM4E
SCHEMBL2498889 0.76 GABRP (0.43) ALDH1A1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346744-A1 THIOL URETHANE GROUP-CONTAINING POLYMERIZABLE COMPOSITION Kulzer GmbH (DE) 2024-04-10 EP disclosed
EP-3689290-B1 METHOD FOR PRODUCING A PARTIAL OR TOTAL PROSTHESIS, AND PROSTHESIS OBTAINABLE BY THIS METHOD KULZER & CO GMBH (DE) 2023-11-22 EP disclosed
EP-3273928-B1 METHOD FOR PRODUCING DENTAL PROSTHESES KULZER & CO GMBH (DE) 2022-10-05 EP disclosed
CN-109310580-B Ceramic green body filled with organic compounds having improved processing properties 古莎有限公司 2021-12-17 CN disclosed
CN-111511339-A Dental composite material and milled blank of said composite material 古莎有限公司 2020-08-07 CN disclosed
CN-111372550-A Dental composite material and milled blank of said composite material 古莎有限公司 2020-07-03 CN disclosed
EP-3654924-A2 DENTAL COMPOSITE MATERIAL AND MILL BLANKS CONSISTING OF SAID COMPOSITE MATERIAL Kulzer GmbH (DE) 2020-05-27 EP disclosed
EP-3654923-A1 DENTAL COMPOSITE MATERIAL AND MILL BLANKS CONSISTING OF SAID COMPOSITE MATERIAL Kulzer GmbH (DE) 2020-05-27 EP disclosed
EP-3654922-A1 DENTAL COMPOSITE MATERIAL WITH ADAPTED RATIO OF FLEXURAL STRENGTH TO ELASTIC MODULUS, AND MILL BLANKS MADE OF SAID COMPOSITE MATERIAL Kulzer GmbH (DE) 2020-05-27 EP disclosed
EP-3654925-A2 DENTAL COMPOSITE MATERIAL AND MILL BLANKS CONSISTING OF SAID COMPOSITE MATERIAL Kulzer GmbH (DE) 2020-05-27 EP disclosed
CN-111163742-A Dental composite having an adjusted ratio of flexural strength to elastic modulus and mill blank of said composite 古莎有限公司 2020-05-15 CN disclosed
CN-111163743-A Dental composite material and mill blank composed of said composite material 古莎有限公司 2020-05-15 CN disclosed
US-8067482-B2 Material for producing plastic molded parts that can be used in the field of dentistry IVOCLAR VIVADENT AG (LI) 2011-11-29 US disclosed
US-20090036612-A1 Material for Producing Plastic Molded Parts that can be Used in the Field of Dentistry IVOCLAR VIVADENT AG (LI) 2009-02-05 US disclosed