SCHEMBL5573538

SCHEMBL5573538

Cc1c(C(=O)O)n(-c2ccc(OC(C)C)cc2)c2ccc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.44
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.39
EDNRA P25101 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
PLA2G4A P47712 1/20 0.37
BCL2 P10415 3/20 0.36
MDM2 Q00987 3/20 0.36
MCL1 Q07820 3/20 0.36
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36

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
SCHEMBL3007173 0.87 MAPT (0.46) ALDH1A1POLBTP53
SCHEMBL3007431 0.80 PTGES (0.49) PTGESEDNRAMCL1
SCHEMBL335076 0.79 SMN1; SMN2 (0.50) KMT2AALDH1A1POLBTP53MEN1
SCHEMBL3578280 0.79 PTGES (0.53) PTGESKMT2AALDH1A1EDNRABCL2
SCHEMBL3016031 0.78 MAPT (0.45) ALDH1A1POLBTP53
SCHEMBL333931 0.78 MAPT (0.45) ALDH1A1POLBTP53
SCHEMBL3571150 0.78 MAPT (0.45) ALDH1A1POLBTP53
SCHEMBL3009481 0.78 KMT2A (0.50) KMT2AALDH1A1KDM4EPOLBTP53
SCHEMBL333693 0.77 MAPT (0.43) PTGESKMT2AALDH1A1KDM4EPOLB
SCHEMBL3012396 0.77 MAPT (0.43) ALDH1A1POLBTP53

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-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed