SCHEMBL1917017

SCHEMBL1917017

CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
LMNA P02545 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRB2 P47870 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL16678737 0.82 ALOX15 (0.36) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL27908724 0.82 ALDH1A1 (0.34) LMNASLC6A2KMT2AALOX15
SCHEMBL1918403 0.81 ALOX15 (0.41) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL16678672 0.80 ALOX15 (0.37) LMNAKMT2AALOX15DPP4ANPEP
SCHEMBL13675478 0.75 GABRA1 (0.43) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL15923946 0.75 KMT2A (0.41) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL16678671 0.75 ALOX15 (0.40) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL28563413 0.73 GABRA1 (0.41) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL2003694 0.73 GABRA1 (0.41) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL12852198 0.73 GABRA1 (0.41) GABRA1LMNAGABRG2GABRB3GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392606-B1 PREPARATION METHOD OF POLYLACTIC ACID BY CATALYSIS OF CARBENE DERIVATIVES NANJING UNIVERSITY OF TECHNOLOGY (CN) 2018-03-28 EP disclosed
US-9040653-B2 Ring-opening polymerization of cyclic compounds catalyzed by carbene derivatives NANJING UNIVERSITY OF TECHNOLOGY (CN) 2015-05-26 US disclosed
US-9029497-B2 Method of making polylactic acid using carbene derivatives as the catalyst NANJING UNIVERSITY OF TECHNOLOGY (CN) 2015-05-12 US disclosed
EP-2327736-B1 METHOD OF ADJUSTABLE AND CONTROLLABLE RING-OPENING POLYMERIZATION OF CYCLIC COMPOUNDS BY CATALYSIS OF CARBENE DERIVATIVES NANJING UNIVERSITY OF TECHNOLOGY (CN) 2015-03-18 EP disclosed
US-20110152493-A1 METHOD OF MAKING POLYLACTIC ACID USING CARBENE DERIVATIVES AS THE CATALYST NANJING UNIVERSITY OF TECHNOLOGY 2011-06-23 US disclosed
US-20110144296-A1 RING-OPENING POLYMERIZATION OF CYCLIC COMPOUNDS CATALYZED BY CARBENE DERIVATIVES NANJING UNIVERSITY OF TECHNOLOGY 2011-06-16 US disclosed
EP-2327736-A1 METHOD OF ADJUSTABLE AND CONTROLLABLE RING-OPENING POLYMERIZATION OF CYCLIC COMPOUNDS BY CATALYSIS OF CARBENE DERIVATIVES Nanjing University of Technology (CN) 2011-06-01 EP disclosed