SCHEMBL13660616

SCHEMBL13660616

CC(C(C(=O)Nc1cc(CC2(C(=O)OC(C)(C)C)CC2)ccc1F)c1ccc(CN2N=C(c3ccccc3)CCC2=O)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE3A Q14432 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
GAA P10253 1/20 0.35
TP53 P04637 5/20 0.35
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.33
THRB P10828 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL1177975 0.88 MAOB (0.31)
SCHEMBL13660725 0.88 SMN1; SMN2 (0.41) PGRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13660729 0.82 PGR (0.43) PGRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16749152 0.82 FFAR2 (0.37)
SCHEMBL10006447 0.82 FFAR2 (0.37)
SCHEMBL10006480 0.82 AAK1 (0.34) SMN1; SMN2LMNA
SCHEMBL10006261 0.81 AAK1 (0.33) TP53LMNA
SCHEMBL10006603 0.81 AAK1 (0.33) SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL11932122 0.81 AAK1 (0.33) SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL10006232 0.80 TRPV1 (0.36) SMN1; SMN2MEN1KMT2A

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