SCHEMBL7987355

SCHEMBL7987355

CCOC(=O)C(c1ccc2c(c1)OCO2)C(O)c1cn(C(=O)OC(C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.43
EDNRA P25101 1/20 0.42
HPGD P15428 7/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCD5 Q86SK9 1/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL7990330 0.84 OGA (0.43) OGAEDNRAHPGDKDM4EALDH1A1
SCHEMBL8807232 0.76 EDNRA (0.44) OGAEDNRAHPGDKDM4EALDH1A1
SCHEMBL8789026 0.72 RAB9A (0.55) OGAEDNRAHPGDKDM4EALDH1A1
SCHEMBL7976015 0.71 EDNRA (0.44) EDNRAHPGDALDH1A1NPC1RAB9A
SCHEMBL7975989 0.70 EDNRA (0.41) EDNRAHPGDALDH1A1SCD5HTT
SCHEMBL7987498 0.68 RAB9A (0.48) OGAHPGDKDM4EALDH1A1NPC1
SCHEMBL6138702 0.68 RAB9A (0.56) OGAEDNRAHPGDKDM4EALDH1A1
SCHEMBL12053329 0.67 CYP3A4 (0.55) OGAHPGDNPC1RAB9AHTT
SCHEMBL7359562 0.67 EDNRA (0.54) EDNRAHPGDKDM4ENPC1RAB9A
SCHEMBL5849380 0.67 DGAT2 (0.37) ALDH1A1NPC1RAB9AHTTMEN1

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
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed