SCHEMBL7990330

SCHEMBL7990330

CCOC(=O)C(Cc1cn(C(=O)OC(C)(C)C)cn1)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.43
EDNRA P25101 2/20 0.42
SCD5 Q86SK9 1/20 0.39
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
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
HTT P42858 1/20 0.37
MAPK9 P45984 1/20 0.36
CRHBP P24387 1/20 0.35

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
SCHEMBL7987355 0.84 OGA (0.43) OGAEDNRASCD5HPGDNPC1
SCHEMBL7990492 0.79 SIRT2 (0.44) OGAEDNRAHPGD
SCHEMBL8810776 0.76 EDNRA (0.44) OGAEDNRAHPGDNPC1RAB9A
SCHEMBL2800705 0.74 SLC6A3 (0.37)
SCHEMBL6975784 0.73 RAB9A (0.51) OGAEDNRAHPGDNPC1RAB9A
SCHEMBL7987522 0.73 EDNRA (0.47) EDNRAHPGDNPC1RAB9AALDH1A1
SCHEMBL7987573 0.73 EDNRA (0.44) OGAEDNRASCD5HPGDNPC1
SCHEMBL7986399 0.71 EDNRA (0.42) EDNRASCD5KDM4EALDH1A1CYP1A2
SCHEMBL7359562 0.71 EDNRA (0.54) EDNRAHPGDNPC1RAB9AKDM4E
SCHEMBL7986471 0.71 EDNRA (0.54) EDNRA

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