SCHEMBL7522147

SCHEMBL7522147

COC(=O)C(=Cc1ccccc1)NC(=O)CC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
RECQL P46063 1/20 0.45
AKR1C3 P42330 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8008079 0.88 LMNA (0.46) MEN1KMT2ALMNARECQLAKR1C3
SCHEMBL186729 0.85 MEN1 (0.56) MEN1KMT2ALMNARECQLAKR1C3
SCHEMBL3682708 0.85 MEN1 (0.56) MEN1KMT2ALMNARECQLAKR1C3
SCHEMBL187458 0.85 MEN1 (0.56) MEN1KMT2ALMNARECQLAKR1C3
SCHEMBL9488336 0.84 LMNA (0.46) MEN1KMT2ALMNARECQLAKR1C3
SCHEMBL9488339 0.84 LMNA (0.46) MEN1KMT2ALMNARECQLAKR1C3
SCHEMBL12394376 0.82 LMNA (0.49) MEN1KMT2ALMNARECQLAKR1C3
SCHEMBL7997621 0.81 LMNA (0.41) MEN1KMT2ALMNARECQLALDH1A1
SCHEMBL9823927 0.80 KMT2A (0.46) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL9487033 0.80 LMNA (0.51) MEN1KMT2ALMNAALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912586-B1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE SYNGENTA PARTICIPATIONS AG (CH) 2002-01-16 EP disclosed
US-6169192-B1 LIGANDS FOR TRANSITION METAL COMPLEXES SUITABLE FOR ENANTIOSELECTIVE HYDROGENATION OF ORGANIC DOUBLE OR TRIPLE BONDS NOVARTIS AG (CH) 2001-01-02 US disclosed
EP-0912586-A1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE Novartis AG (CH) 1999-05-06 EP disclosed
WO-1998001457-A1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE NOVARTIS AG (CH) 1998-01-15 WO disclosed