SCHEMBL7568664

SCHEMBL7568664

COc1ccc(-c2ccccc2)c(C[C@H](NC(=O)N(CCC(=O)O)CC(C)C)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.49
ACE P12821 8/20 0.48
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
LPAR1 Q92633 2/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
BCL2L11 O43521 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BAK1 Q16611 1/20 0.40
MMP1 P03956 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
FPR2 P25090 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL7565209 0.89 MME (0.46) MMEACELPAR1ALDH1A1ALOX15
SCHEMBL7567834 0.87 MME (0.50) MMEACECPA1ACE2LPAR1
SCHEMBL7572397 0.87 ACE (0.51) MMEACECPA1ACE2LPAR1
SCHEMBL7575117 0.86 MME (0.49) MMEACECPA1ACE2LPAR1
SCHEMBL7567661 0.86 MME (0.49) MMEACECPA1ACE2LPAR1
SCHEMBL7566385 0.86 MME (0.52) MMEACECPA1ACE2ITGB2
SCHEMBL7567107 0.83 MME (0.46) MMEACECPA1ACE2ITGB2
SCHEMBL7573605 0.79 MME (0.47) MMEACELPAR1CTSB
SCHEMBL7565255 0.78 MME (0.69) MMEACECPA1ACE2CTSB
SCHEMBL7573789 0.78 MME (0.46) MMEACELPAR1CTSB

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