SCHEMBL7993650

SCHEMBL7993650

O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(c1ccc2c(c1)OCO2)C(O)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.49
ACE P12821 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
MME P08473 2/20 0.43
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.41
HPGD P15428 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
HTT P42858 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL7986911 0.91 EDNRA (0.47) EDNRAACEALDH1A1TSHRSMN1; SMN2
SCHEMBL7993759 0.91 MME (0.52) ACEALDH1A1TSHRMMEHPGD
SCHEMBL7976824 0.79 HPGD (0.46) ALDH1A1SMN1; SMN2NPC1TP53MAPT
SCHEMBL7988173 0.77 SMN1; SMN2 (0.53) SMN1; SMN2TP53MAPT
SCHEMBL7987574 0.77 MAPK1 (0.53) ACESMN1; SMN2
SCHEMBL7986607 0.77 MAPK1 (0.53) ACESMN1; SMN2
SCHEMBL7990351 0.77 MAPK1 (0.53) ACESMN1; SMN2
SCHEMBL7993516 0.76 EDNRA (0.59) EDNRAACEALDH1A1TSHRSMN1; SMN2
SCHEMBL7987577 0.75 NPC1 (0.48) ALDH1A1TSHRSMN1; SMN2NPC1TP53
SCHEMBL7977103 0.74 EDNRA (0.49) EDNRAACEALDH1A1TSHRSMN1; SMN2

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