SCHEMBL5502135

SCHEMBL5502135

CC(C)Oc1ccc(-c2c(Oc3ccc(Cl)cc3)ccc3[nH]c(-c4ccc(C(=O)O)cc4)c(C(=O)O)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
CHEK2 O96017 3/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
BTK Q06187 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
PTGER4 P35408 4/20 0.38
PTGER2 P43116 1/20 0.38
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
PIM3 Q86V86 1/20 0.35

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
SCHEMBL5513955 0.90 PTGER4 (0.45) KMT2ACHEK2RXRARXRBBTK
SCHEMBL5507821 0.76 ACACB (0.39) KMT2AKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL5502760 0.70 MAP2 (0.39) KDM4EHPGD
SCHEMBL5849106 0.69 KMT2A (0.89) KMT2ARXRARXRBBTKPARP10
SCHEMBL5269374 0.69 FFAR4 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5518524 0.68 KMT2A (0.39) KMT2AKDM4EPARP10
SCHEMBL5269571 0.68 PTGER4 (0.39) RXRARXRBPTGER4PRKAB2PRKAG1
SCHEMBL5273163 0.68 PRKAB2 (0.36) BTKPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5509080 0.67 PTPN5 (0.37) KDM4EACACBACACA
SCHEMBL503642 0.67 KMT2A (1.00) KMT2ARXRARXRBKDM4EHPGD

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed