SCHEMBL7993759

SCHEMBL7993759

O=C(N[C@@H](Cc1ccccc1)C(=O)O)C(c1ccc2c(c1)OCO2)C(O)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.52
ACE P12821 5/20 0.52
CPA1 P15085 4/20 0.50
ACE2 Q9BYF1 4/20 0.50
HPGD P15428 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
EPHX2 P34913 2/20 0.44
CTSL P07711 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41

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
SCHEMBL7993650 0.91 EDNRA (0.49) MMEACECPA1ACE2HPGD
SCHEMBL7976824 0.85 HPGD (0.46) MMEHPGDALDH1A1HTTKDM4E
SCHEMBL7986607 0.85 MAPK1 (0.53) ACE
SCHEMBL7990351 0.85 MAPK1 (0.53) ACE
SCHEMBL7987574 0.85 MAPK1 (0.53) ACE
SCHEMBL7986911 0.82 EDNRA (0.47) ACEHPGDCTSLALDH1A1TSHR
SCHEMBL7993619 0.80 MAPK1 (0.55) ACE
SCHEMBL7987577 0.80 NPC1 (0.48) HPGDALDH1A1HTTTSHRKDM4E
SCHEMBL7988173 0.77 SMN1; SMN2 (0.53)
SCHEMBL7975974 0.74 MAPK9 (0.49) MMEHPGDALDH1A1

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
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed