SCHEMBL6487741

SCHEMBL6487741

CC(C)SCCC(N)C(O)C(=O)NNC(=O)C1CCCO1.CCSCC[C@@H](N)C(O)C(=O)NNC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 12/20 0.49
METAP1 P53582 10/20 0.49
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6565176 1.00 METAP2 (0.49) METAP2METAP1ALDH1A1CYP2C19HPGD
SCHEMBL6487731 1.00 METAP2 (0.49) METAP2METAP1ALDH1A1CYP2C19HPGD
SCHEMBL7068948 0.85 METAP2 (0.39) METAP2METAP1CYP2C19HPGDHSD17B10
SCHEMBL6477113 0.84 METAP2 (0.67) METAP2METAP1ALPLGAASMN1; SMN2
SCHEMBL6478812 0.80 METAP2 (0.47) METAP2METAP1ALDH1A1CYP2C19HPGD
SCHEMBL6477893 0.80 METAP2 (0.47) METAP2METAP1ALDH1A1CYP2C19HPGD
SCHEMBL6476461 0.69 METAP2 (0.68) METAP2METAP1HPGDHSD17B10ALPL
SCHEMBL6478032 0.69 METAP2 (0.69) METAP2METAP1ALDH1A1HPGDKMT2A
SCHEMBL6477297 0.68 METAP2 (0.77) METAP2METAP1
SCHEMBL6486428 0.68 METAP2 (0.66) METAP2METAP1TAS1R3TAS1R1

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
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US claimed