SCHEMBL4607036

SCHEMBL4607036

CCCCOc1cc(C=C(C)C(=O)O)ccc1-c1cccc(CN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.37
PTPN11 Q06124 3/20 0.37
ABHD6 Q9BV23 1/20 0.36
AKR1C3 P42330 1/20 0.36
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
AOC3 Q16853 5/20 0.35
KDM4E B2RXH2 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
PLA2G4A P47712 2/20 0.34
MGLL Q99685 1/20 0.34
NLRP3 Q96P20 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
SCHEMBL4607033 1.00 GLS (0.37) GLSPTPN11ABHD6AKR1C3HTR2C
SCHEMBL4968634 0.88 AKR1C3 (0.49) GLSPTPN11ABHD6AKR1C3AOC3
SCHEMBL4968622 0.88 AKR1C3 (0.49) GLSPTPN11ABHD6AKR1C3AOC3
SCHEMBL4218392 0.86 MEN1 (0.42) PTPN11AKR1C3AOC3KDM4EPLA2G4A
SCHEMBL1400796 0.85 PDK2 (0.32) AKR1C3HTR2CSLC6A4KDM4E
SCHEMBL1400797 0.85 PDK2 (0.32) AKR1C3HTR2CSLC6A4KDM4E
SCHEMBL4211969 0.83 HSD17B2 (0.47) PTPN11AOC3NLRP3
SCHEMBL4361055 0.82 KDM4E (0.38) PTPN11AKR1C3KDM4E
SCHEMBL4361050 0.82 KDM4E (0.38) PTPN11AKR1C3KDM4E
SCHEMBL4213898 0.82 HSD17B2 (0.46) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO disclosed