SCHEMBL5508792

SCHEMBL5508792

CCOC(=O)Cc1c(C(=O)OCC)c2cc(-c3cc(F)c(C)c(F)c3F)ccc2n1-c1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 3/20 0.39
THRB P10828 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 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
SCHEMBL332665 0.83 PTGES (0.45) PTGESMEN1KMT2ATP53THRB
SCHEMBL333920 0.82 KMT2A (0.57) PTGESMEN1KMT2AMAPTTSHR
SCHEMBL333484 0.77 USP14 (0.45) PTGESMEN1KMT2ATP53THRB
SCHEMBL333461 0.77 THRB (0.43) PTGESMEN1KMT2ATP53THRB
SCHEMBL334159 0.77 TP53 (0.45) PTGESMEN1KMT2ATP53THRB
SCHEMBL333467 0.77 SMN1; SMN2 (0.44) PTGESMEN1KMT2ATP53THRB
SCHEMBL334124 0.76 ALOX5 (0.43) PTGESMEN1KMT2ATP53THRB
SCHEMBL334103 0.75 PTGES (0.50) PTGESMEN1KMT2ATP53THRB
SCHEMBL333541 0.74 PPARG (0.47) PTGESTP53THRBMAPTSMN1; SMN2
SCHEMBL1407252 0.74 TP53 (0.42) MEN1KMT2ATP53THRBMAPT

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