SCHEMBL13660729

SCHEMBL13660729

CC(C(C(=O)Nc1cccc(CC2(C(=O)O)CC2)c1)c1ccc(CN2N=C(c3ccccc3)CCC2=O)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PDE4B Q07343 4/20 0.39
PDE3A Q14432 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
TP53 P04637 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.36
RAF1 P04049 1/20 0.35
PDE5A O76074 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
SCHEMBL7606114 0.88 SMN1; SMN2 (0.44) PGRSMN1; SMN2PDE4BPDE3APDE4A
SCHEMBL13660722 0.87 SMN1; SMN2 (0.43) PGRSMN1; SMN2PDE4BPDE3APDE4A
SCHEMBL1179010 0.87 MAOB (0.35) PARP1RAF1
SCHEMBL13660616 0.82 PGR (0.39) PGRSMN1; SMN2PDE4BPDE3APDE4A
SCHEMBL1178397 0.81 MET (0.45) MEN1KMT2ALMNA
SCHEMBL1178399 0.80 MAOB (0.33) PARP1RAF1
SCHEMBL1178468 0.80 PARP1 (0.37) PARP1RAF1
SCHEMBL10006581 0.80 ACKR3 (0.43) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL10006523 0.80 MAPT (0.40) SMN1; SMN2TP53MEN1KMT2AALDH1A1
SCHEMBL9899617 0.80 MAPT (0.40) SMN1; SMN2TP53MEN1KMT2AALDH1A1

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
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed