SCHEMBL7975989

SCHEMBL7975989

CCCCc1nc(C(O)C(C(=O)O)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.41
APLNR P35414 5/20 0.38
EDNRB P24530 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SCD5 Q86SK9 1/20 0.35
RORC P51449 1/20 0.35
USP2 O75604 1/20 0.35
ALPG P10696 1/20 0.35
MAPT P10636 1/20 0.34
MMP13 P45452 1/20 0.34
BMP1 P13497 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GPR183 P32249 1/20 0.34

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
SCHEMBL7976015 0.89 EDNRA (0.44) EDNRAAPLNRKMT2AMEN1HPGD
SCHEMBL7986434 0.83 EDNRA (0.41) EDNRAAPLNREDNRBKMT2ASCD5
SCHEMBL7986738 0.82 MAPK1 (0.43) KMT2AMEN1HTT
SCHEMBL7994192 0.81 EDNRA (0.41) EDNRAAPLNREDNRBSCD5MAPT
SCHEMBL7990304 0.79 MEN1 (0.42) KMT2AMEN1MAPT
SCHEMBL7986399 0.78 EDNRA (0.42) EDNRAEDNRBKMT2ASCD5MAPT
SCHEMBL7989782 0.76 EDNRA (0.44) EDNRAAPLNRMAPTALDH1A1
SCHEMBL7994654 0.74 EDNRA (0.44) EDNRAMAPTALDH1A1
SCHEMBL7987573 0.74 EDNRA (0.44) EDNRAEDNRBKMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL7987566 0.74 MAPK9 (0.39) EDNRAAPLNRKMT2AMEN1HPGD

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