SCHEMBL7905617

SCHEMBL7905617

CC(CCCC1(C(=O)O)CC1)NC(=O)C(c1ccc(CN2N=C(c3ccccc3)CCC2=O)cc1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
PGR P06401 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 5/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 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
RAB9A P51151 1/20 0.34

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
SCHEMBL7903336 0.87 KMT2A (0.45) KMT2APGRHRH3TP53LMNA
SCHEMBL517193 0.87 PTGES (0.33) SMN1; SMN2KMT2AMEN1TP53LMNA
SCHEMBL7904520 0.80 KMT2A (0.46) SMN1; SMN2KMT2AMEN1GAAPGR
SCHEMBL517806 0.79 P4HB (0.32)
SCHEMBL7606117 0.78 KMT2A (0.44) SMN1; SMN2KMT2AMEN1PGRALDH1A1
SCHEMBL7601328 0.78 KMT2A (0.44) SMN1; SMN2KMT2AMEN1PGRHRH3
SCHEMBL7601831 0.77 PTGES (0.46) SMN1; SMN2KMT2AMEN1PGRHRH3
SCHEMBL13660621 0.76 KMT2A (0.55) SMN1; SMN2KMT2AMEN1PGRHRH3
SCHEMBL7899898 0.76 KMT2A (0.45) SMN1; SMN2KMT2APGRHRH3TP53
SCHEMBL13660622 0.76 KMT2A (0.52) SMN1; SMN2KMT2AMEN1GAAPGR

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-2010102717-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-16 WO disclosed