SCHEMBL8855258

SCHEMBL8855258

CC1=C(C=O)CCC2(C)C3=C(CCC12)C(=O)C(C(C)C)=CC3=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ EPAS1 Q99814 1/20 0.32

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
SCHEMBL8855376 0.81 SRD5A2 (0.35) EP300HIF1AEPAS1
SCHEMBL12260908 0.75 AR (0.54) HIF1AEPAS1
SCHEMBL29553636 0.75 AR (0.54) HIF1AEPAS1
SCHEMBL29552794 0.74 HIF1A (0.35) EP300HIF1AEPAS1
SCHEMBL9359973 0.73 CYP3A4 (0.50) EP300HIF1AEPAS1
SCHEMBL15732245 0.72 EP300 (0.46) EP300HIF1AEPAS1
SCHEMBL9359538 0.70 KARS1 (0.34) EP300HIF1AEPAS1
SCHEMBL8855131 0.70 KARS1 (0.51) EP300
SCHEMBL8855191 0.67 KARS1 (0.53) —
SCHEMBL9360372 0.67 POLA1 (0.44) EP300HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654343-A NITRIC OXIDE SYNTHESIS INHIBITOR; TREATING ENDOTOXIC SHOCK OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-05 — — US disclosed
EP-0676196-A1 NITROGEN MONOXIDE SYNTHESIS INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-11 — — EP disclosed
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