SCHEMBL6935924

SCHEMBL6935924

CC(C)SCC[C@@H](N)C(O)C(=O)N(N)C(=O)CN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.40
METAP1 P53582 8/20 0.39
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6476604 0.78 METAP2 (0.50) METAP2METAP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6941020 0.74 METAP2 (0.42) METAP2METAP1
SCHEMBL6939437 0.74 METAP2 (0.40) METAP2METAP1
SCHEMBL6935912 0.69 METAP2 (0.42) METAP2METAP1
SCHEMBL6563403 0.66 METAP2 (0.42) METAP2METAP1KDM4E
SCHEMBL15532918 0.66 KDM4E (0.57) KDM4EHSD17B10ALDH1A1ALOX15TSHR
SCHEMBL5848309 0.66 METAP2 (0.56) METAP2METAP1
SCHEMBL6245482 0.66 METAP2 (0.56) METAP2METAP1
SCHEMBL5849991 0.66 METAP2 (0.56) METAP2METAP1
SCHEMBL6478153 0.65 METAP2 (0.51) METAP2METAP1KDM4EALOX15

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