SCHEMBL5267329

SCHEMBL5267329

CC(C)Oc1ccc(-c2c(-c3ccc(C(F)(F)F)cn3)ccc3[nH]c(C(=O)Cl)c(Cl)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
PTPN5 P54829 1/20 0.34
PTGES O14684 2/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
SCN9A Q15858 2/20 0.33
ACACB O00763 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
PPARD Q03181 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
SCHEMBL5272120 0.92 MCHR1 (0.34) MCHR1PTPN5PTGESCYP1A2MEN1
SCHEMBL5571402 0.89 KDM4E (0.43) MCHR1PTGESCYP1A2MEN1KMT2A
SCHEMBL5338178 0.86 PTGES (0.33) MCHR1PTPN5PTGESMEN1KMT2A
SCHEMBL5573963 0.85 CYP1A2 (0.34) MCHR1PTPN5PTGESCYP1A2MEN1
SCHEMBL5570207 0.85 GPR35 (0.36) MCHR1PTPN5CYP1A2CYP3A4CYP3A5
SCHEMBL5573431 0.85 MCHR1 (0.37) MCHR1PTPN5CYP1A2CYP3A4CYP3A5
SCHEMBL5574807 0.85 CYP1A2 (0.34) MCHR1PTPN5PTGESCYP1A2MEN1
SCHEMBL5350625 0.85 CYP1A2 (0.34) MCHR1PTPN5PTGESCYP1A2MEN1
SCHEMBL5509633 0.82 DGAT1 (0.35) MCHR1PTPN5CYP1A2PPARDDGAT1
SCHEMBL5574783 0.82 KDM4E (0.44) MCHR1CYP1A2MEN1KMT2AKDM4E

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-1838669-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-03 EP disclosed
WO-2006077365-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed