SCHEMBL6154001

SCHEMBL6154001

CC(C)CNC(=O)CC(O)(CC(=O)NCC(C)C)C(=O)NCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 6/20 0.40
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 2/20 0.34
MLYCD O95822 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33

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
SCHEMBL6153991 0.77 LMNA (0.40) CYP2C19HPGDLMNASMN1; SMN2GAA
SCHEMBL2757909 0.77 CYP2D6 (0.50) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL12425667 0.75 CYP2D6 (0.48) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL21257040 0.74 TSHR (0.46) LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL10447542 0.73 CYP2D6 (0.62) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL8932181 0.72 CYP2D6 (0.54) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL787860 0.72
SCHEMBL7374750 0.71 CYP2D6 (0.43) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL15756393 0.71 CYP2D6 (0.48) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL2833165 0.70 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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