SCHEMBL5201807

SCHEMBL5201807

CC(C)Oc1ccc(-c2cc(-c3ccc4ccccc4c3)c3c(-c4ccc(OC(C)C)cc4)c(C(=O)O)[nH]c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.43
GPR17 Q13304 1/20 0.42
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
BTK Q06187 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
BCL2 P10415 1/20 0.37
MDM2 Q00987 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5737996 0.76 MAP2 (0.41) MCL1GPR17RXRARXRBALDH1A1
SCHEMBL5215846 0.70 JAK2 (0.39) MCL1RXRARXRBKMT2AKDM4E
SCHEMBL13376480 0.70 ESR1 (0.52) MCL1RXRARXRBCYP1A2GAA
SCHEMBL5273891 0.69 KDM4E (0.51) MCL1GPR17PRKAB2PRKAG1PRKAA2
SCHEMBL5272766 0.69 PRKAB2 (0.41) MCL1GPR17PRKAB2PRKAG1PRKAA2
SCHEMBL5274062 0.67 L3MBTL1 (0.42) MCL1GPR17PRKAB2PRKAG1PRKAA2
SCHEMBL5270273 0.67 MAP2 (0.55) MCL1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5299189 0.67 PTGES (0.52) MCL1RXRARXRBKMT2AKDM4E
SCHEMBL20392122 0.67 CYP1A2 (0.50) MCL1RXRARXRBKMT2AMEN1
SCHEMBL5269262 0.67 JAK2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-1765775-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-03-28 EP disclosed
WO-2005123675-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO disclosed