SCHEMBL7601260

SCHEMBL7601260

CCC(C)C(C(=O)Nc1cccc2c1CC(C)(C(=O)O)C2)c1ccc(CN2N=C(c3ccccc3)CCC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 2/20 0.37
PTGES O14684 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE4B Q07343 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 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
SCHEMBL7604012 0.93 PGR (0.42) PGRSMN1; SMN2TP53MEN1KMT2A
SCHEMBL1080610 0.87 PARP1 (0.36) PARP1PTGES
SCHEMBL7602721 0.85 PGR (0.41) PGRSMN1; SMN2TP53MEN1KMT2A
SCHEMBL7601816 0.85 KMT2A (0.43) PGRKMT2APTGES
SCHEMBL1178477 0.82 PTGES (0.34) PARP1PTGES
SCHEMBL1080887 0.80 BACE1 (0.34) MEN1KMT2ALMNAALDH1A1
SCHEMBL7601064 0.80 PTGES (0.59) SMN1; SMN2MEN1KMT2AGAAPTGES
SCHEMBL7606070 0.80 KMT2A (0.41) PGRKMT2APTGESPDE4BPDE4A
SCHEMBL7605706 0.78 PARP1 (0.48) PGRSMN1; SMN2TP53MEN1KMT2A
SCHEMBL7606125 0.78 PDE4B (0.39) PGRSMN1; SMN2TP53MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed