SCHEMBL2836345

SCHEMBL2836345

CCCNC(=O)CC(O)(CC(=O)NCCC)C(=O)NCCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
EPHX1 P07099 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CASP2 P42575 1/20 0.35
CNR1 P21554 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.34
NAAA Q02083 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL6313044 0.91 MCL1 (0.38) MCL1MMP1MMP2MMP3MMP9
SCHEMBL6153527 0.88 EPHX1 (0.47) MMP2EPHX1KMT2AMEN1CASP2
SCHEMBL15362808 0.83 EPHX1 (0.56) EPHX1KMT2AMEN1CASP2NAAA
SCHEMBL6313039 0.82 MCL1 (0.42) MCL1MMP1MMP2MMP3MMP9
SCHEMBL17611590 0.81 ALDH1A1 (0.37) KMT2AMEN1CNR1GAALMNA
SCHEMBL6153991 0.79 LMNA (0.40) KMT2ACNR1GAALMNAL3MBTL1
SCHEMBL5532759 0.79 ALDH1A1 (0.56) MCL1MMP1MMP2MMP3MMP9
SCHEMBL4311511 0.78 MCL1 (0.47) MCL1MMP1MMP2MMP3MMP9
SCHEMBL6313075 0.78 EPHX1 (0.50) EPHX1CASP2NAAAFAAH
SCHEMBL2833165 0.76 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010101477-A1 HYDRATE INHIBITORS M-I SWACO NORGE AS (NO) 2010-09-10 WO disclosed
EP-1174026-B1 Citric acid tri-alkylamide surfactants AIR PROD & CHEM (US) 2005-11-09 EP disclosed
US-6399088-B1 CLEANING ELECTRONICS; SEMICONDUCTORS AIR PRODUCTS AND CHEMICALS, INC. 2002-06-04 US disclosed
US-20020041933-A1 Citric acid tri-alkylamide surfactants SLONE CAROLINE SASSANO (US) 2002-04-11 US disclosed
EP-1174026-A2 Citric acid tri-alkylamide surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-01-23 EP disclosed
US-6306463-B1 APPLYING COATING OF A WATER-BASED FORMULATION CONTAINING CITRIC ACID TRI-ALKYLAMIDE SURFACTANT TO REDUCE DYNAMIC SURFACE TENSION TO A SURFACE TO PARTIALLY OR FULLY COAT THE SURFACE AND DRYING THE COATING; ENVIRONMENTALLY FRIENDLY SURFACTANTS AIR PRODUCTS AND CHEMICALS, INC. 2001-10-23 US disclosed