SCHEMBL7975894

SCHEMBL7975894

CCCCCc1nc(CC(C(=O)N2C(=O)OC[C@@H]2C(C)C)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.36
STAT3 P40763 1/20 0.36
EDNRA P25101 3/20 0.33
IDH1 O75874 1/20 0.33
APLNR P35414 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGB6 P18564 1/20 0.32
SCD5 Q86SK9 1/20 0.32
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
EDNRB P24530 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL7986429 0.98 IL6ST (0.35) IL6STSTAT3EDNRAIDH1APLNR
SCHEMBL7986613 0.95 EDNRA (0.34) IL6STSTAT3EDNRAIDH1SCD5
SCHEMBL7994175 0.92 EDNRA (0.35) IL6STSTAT3EDNRAIDH1SCD5
SCHEMBL7994192 0.85 EDNRA (0.41) EDNRAAPLNRITGB3ITGAVITGA2B
SCHEMBL7986434 0.82 EDNRA (0.41) EDNRAAPLNRITGB3ITGAVITGA2B
SCHEMBL8810101 0.80 IL6ST (0.36) IL6STSTAT3EDNRAIDH1ITGB3
SCHEMBL7994654 0.80 EDNRA (0.44) EDNRAMAPT
SCHEMBL7986399 0.79 EDNRA (0.42) EDNRAITGB3ITGAVITGA2BITGB5
SCHEMBL8811832 0.78 IL6ST (0.35) IL6STSTAT3EDNRAIDH1APLNR
SCHEMBL7989782 0.77 EDNRA (0.44) EDNRAAPLNRMAPT

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