SCHEMBL1918403

SCHEMBL1918403

CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GABRA1 P14867 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 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
SCHEMBL15923946 0.93 KMT2A (0.41) ALOX15KMT2AMEN1TDP1LMNA
SCHEMBL16678671 0.87 ALOX15 (0.40) ALOX15KMT2AMEN1TDP1LMNA
SCHEMBL16678672 0.84 ALOX15 (0.37) ALOX15KMT2AMEN1TDP1LMNA
SCHEMBL27908721 0.83 ALDH1A1 (0.37) ALOX15KMT2AMEN1TDP1LMNA
SCHEMBL1917017 0.81 GABRA1 (0.41) ALOX15KMT2ALMNAFAAHCA1
SCHEMBL16678737 0.81 ALOX15 (0.36) ALOX15KMT2AMEN1TDP1LMNA
SCHEMBL13698771 0.76 GABRA1 (0.41) ALOX15KMT2AMEN1TDP1LMNA
SCHEMBL1683077 0.74 GABRA1 (0.40) ALOX15KMT2AMEN1TDP1LMNA
SCHEMBL28716736 0.74 GABRA1 (0.40) ALOX15KMT2AMEN1TDP1LMNA
SCHEMBL29501774 0.74 GABRA1 (0.40) ALOX15KMT2AMEN1TDP1LMNA

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