SCHEMBL8861591

SCHEMBL8861591

O=C(O)CNC(=O)C(Cc1ccc(-c2ccccc2)cc1)CP(=O)(O)O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.60
ALDH1A1 P00352 2/20 0.58
ACE P12821 2/20 0.58
ECE1 P42892 2/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
BLM P54132 1/20 0.58
NPEPPS P55786 1/20 0.58
KMT2A Q03164 1/20 0.58
MMEL1 Q495T6 1/20 0.55

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
SCHEMBL7371290 0.87 MMEL1 (0.74) MMEACEMMEL1
SCHEMBL7368519 0.87 MMEL1 (0.74) MMEACEMMEL1
SCHEMBL7371286 0.87 MMEL1 (0.74) MMEACEMMEL1
SCHEMBL2877499 0.85 MMEL1 (0.75) MMEALDH1A1ACEECE1HPGD
SCHEMBL2877506 0.85 MMEL1 (0.75) MMEALDH1A1ACEECE1HPGD
SCHEMBL12609407 0.84 MME (0.72) MME
SCHEMBL8861680 0.84 MME (0.56) MME
SCHEMBL8861649 0.83 MME (0.83) MMEALDH1A1ACEECE1HPGD
SCHEMBL7364582 0.82 MME (0.57) MMEACE
SCHEMBL7319125 0.82 MME (0.55) MMEALDH1A1ACEECE1HPGD

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-5599951-A ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-02-04 US disclosed