SCHEMBL7987573

SCHEMBL7987573

CCc1nc(CC(C(=O)O)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.44
MAPK9 P45984 1/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SCD5 Q86SK9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EDNRB P24530 2/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.36
MMP13 P45452 1/20 0.36
OGA O60502 1/20 0.36
BMP1 P13497 1/20 0.36
CYP26A1 O43174 1/20 0.36
PTGFR P43088 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL7986399 0.93 EDNRA (0.42) EDNRAMAPK9AKR1C3AKR1C2SCD5
SCHEMBL7986434 0.91 EDNRA (0.41) EDNRAMAPK9AKR1C3AKR1C2SCD5
SCHEMBL7994192 0.91 EDNRA (0.41) EDNRAMAPK9AKR1C3AKR1C2SCD5
SCHEMBL7987522 0.88 EDNRA (0.47) EDNRAKMT2AMAPTHPGDMEN1
SCHEMBL7994175 0.83 EDNRA (0.35) EDNRASCD5MAPTOGACYP26A1
SCHEMBL7990070 0.81 MAPK1 (0.47) KMT2AMEN1HTT
SCHEMBL7989782 0.81 EDNRA (0.44) EDNRAMAPTNPC1RAB9A
SCHEMBL7994654 0.80 EDNRA (0.44) EDNRAMAPTNPC1RAB9A
SCHEMBL7986613 0.77 EDNRA (0.34) EDNRASCD5EDNRBMAPTHPGD
SCHEMBL7989806 0.77 EDNRA (0.40) EDNRAMAPTPTGFR

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