SCHEMBL7568452

SCHEMBL7568452

CC(=O)Nc1ccccc1OC(=O)C(C)N(CC(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.52
ACE P12821 14/20 0.52
ACE2 Q9BYF1 9/20 0.43
CPA1 P15085 8/20 0.43
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL7568446 0.84 MME (0.59) MMEACEACE2CPA1LMNA
SCHEMBL8450152 0.81 LMNA (0.41) MMEACELMNAKMT2ASMN1; SMN2
SCHEMBL27504886 0.73 MME (0.74) MMEACEACE2CPA1ITGB1
SCHEMBL8017298 0.73 MME (0.74) MMEACEACE2CPA1ITGB1
SCHEMBL8017294 0.73 MME (0.74) MMEACEACE2CPA1ITGB1
SCHEMBL7565183 0.72 MME (0.63) MMEACEACE2CPA1ITGB1
SCHEMBL7565186 0.72 MME (0.63) MMEACEACE2CPA1ITGB1
SCHEMBL7567446 0.71 MME (0.62) MMEACEACE2CPA1ITGB1
SCHEMBL7567451 0.71 MME (0.62) MMEACEACE2CPA1ITGB1
SCHEMBL7568441 0.70 MME (0.58) MMEACEACE2CPA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed