SCHEMBL8807232

SCHEMBL8807232

CCOC(=O)C(c1ccc2c(c1)OCO2)C(O)c1c[nH]c(C(=O)OC(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.44
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OGA O60502 4/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL8810776 0.82 EDNRA (0.44) EDNRAHSD17B10KDM4ETP53SMN1; SMN2
SCHEMBL7987355 0.76 OGA (0.43) EDNRAHSD17B10KDM4ETP53SMN1; SMN2
SCHEMBL8789026 0.69 RAB9A (0.55) EDNRAKDM4ESMN1; SMN2OGAALDH1A1
Hydrochloric Acid SCHEMBL7987566 0.69 MAPK9 (0.39) EDNRAOGAALDH1A1KMT2AHPGD
SCHEMBL7987498 0.68 RAB9A (0.48) KDM4EOGAALDH1A1KMT2AHPGD
SCHEMBL6138702 0.68 RAB9A (0.56) EDNRAKDM4ESMN1; SMN2OGAALDH1A1
SCHEMBL12053329 0.67 CYP3A4 (0.55) OGAKMT2AHPGDMEN1RAB9A
SCHEMBL7502509 0.66 RAB9A (0.53) KDM4EOGAKMT2AHPGDMEN1
SCHEMBL7332440 0.66 CYP3A4 (0.53) EDNRAKDM4EOGAKMT2AHPGD
SCHEMBL27537606 0.66 EDNRA (0.55) EDNRAKDM4EKMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed