SCHEMBL6938147

SCHEMBL6938147

CCCCC(CC)[C@@H](N)[C@H](O)C(=O)N(N)C(=O)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
METAP2 P50579 5/20 0.39
METAP1 P53582 4/20 0.39
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PARP1 P09874 1/20 0.35
S1PR1 P21453 1/20 0.35
EPHX2 P34913 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL6485344 0.79 METAP2 (0.61) ALDH1A1METAP2METAP1MEN1KMT2A
SCHEMBL6485337 0.79 METAP2 (0.61) ALDH1A1METAP2METAP1MEN1KMT2A
SCHEMBL10768946 0.70 ALDH1A1 (0.70) ALDH1A1HPGDRXFP1PARP1S1PR1
SCHEMBL6562801 0.69 METAP2 (0.52) METAP2METAP1EPHX2SLC6A2SLC6A4
SCHEMBL7319788 0.69 METAP2 (0.62) METAP2METAP1
SCHEMBL6564599 0.69 METAP2 (0.64) METAP2METAP1EPHX2SLC6A2SLC6A4
SCHEMBL14996258 0.68 ALDH1A1 (0.51) ALDH1A1HPGDMEN1POLBKMT2A
SCHEMBL15107648 0.67 OPRM1 (0.45) ALDH1A1EPHX2
SCHEMBL15107641 0.67 OPRM1 (0.45) ALDH1A1EPHX2
SCHEMBL11779692 0.66 HPGD (0.64) ALDH1A1HPGDRXFP1PARP1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP claimed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO claimed