SCHEMBL5986239

SCHEMBL5986239

CCCCC(CC)Cc1cc(C(=O)O)c(C)c(C)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CA2 P00918 3/20 0.37
GABRP O00591 3/20 0.37
GABRD O14764 3/20 0.37
GABRA1 P14867 3/20 0.37
GABRB1 P18505 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRB2 P47870 3/20 0.37
GABRA4 P48169 3/20 0.37
GABRE P78334 3/20 0.37
GABRA6 Q16445 3/20 0.37
GABRG1 Q8N1C3 3/20 0.37
GABRG3 Q99928 3/20 0.37
GABRQ Q9UN88 3/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 4/20 0.36

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
SCHEMBL6057194 0.83 ALDH1A1 (0.48) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL11331262 0.83 ALDH1A1 (0.44) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL3221189 0.83 ALDH1A1 (0.34) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL7734766 0.82 ALDH1A1 (0.36) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL14645866 0.82 ALDH1A1 (0.40) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL6447105 0.81 CA2 (0.36) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL28149306 0.78 CA2 (0.36) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL2535736 0.78 KDM4E (0.38) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL10769054 0.78 KDM4E (0.38) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL1245179 0.77 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116964139-B Photoinitiator resin with dibenzoylmethane substructure 太阳化学有限公司 2024-07-12 CN disclosed
CN-116964139-A Photoinitiator resin with dibenzoylmethane substructure 太阳化学公司 2023-10-27 CN disclosed
US-20060110379-A1 Linkage of agents using microparticles PERICOR SCIENCE, INC. (US) 2006-05-25 US disclosed
US-20060104966-A1 Transglutaminase linkage of agents to tissue PERICOR SCIENCE, INC. (US) 2006-05-18 US disclosed
EP-1476137-A1 COMPOSITION COMPRISING LOW WATER SOLUBLE COMPOUNDS WITHIN POROUS CARRIERS PHARES PHARMACEUTICAL RESEARCH N.V. (AN) 2004-11-17 EP disclosed
WO-2003063835-A1 COMPOSITION COMPRISING LOW WATER SOLUBLE COMPOUNDS WITHIN POROUS CARRIERS PHARES PHARMACEUTICAL RESEARCH N.V. (NL) 2003-08-07 WO disclosed
EP-1303260-A2 LINKAGE OF AGENTS USING MICROPARTICLES Pericor Science, Inc. (US) 2003-04-23 EP disclosed
EP-1203141-A1 LINKAGE OF AGENTS TO TISSUE Pericor Science, Inc. (US) 2002-05-08 EP disclosed
EP-1202706-A1 LYSINE OXIDASE LINKAGE OF AGENTS TO TISSUE Pericor Science, Inc. (US) 2002-05-08 EP disclosed
WO-2002007707-A2 LINKAGE OF AGENTS USING MICROPARTICLES PERICOR SCIENCE, INC. (US) 2002-01-31 WO disclosed
WO-2001007009-A1 LYSINE OXIDASE LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE, INC. (US) 2001-02-01 WO disclosed
WO-2001006829-A2 LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE, INC. (US) 2001-02-01 WO disclosed
WO-1996037192-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SPHINGO- AND GLYCOLIPIDS VESIFACT AG (CH) 1996-11-28 WO disclosed