SCHEMBL8396346

SCHEMBL8396346

COC(=O)NCCCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.52
SIGMAR1 Q99720 1/20 0.40
HRH4 Q9H3N8 3/20 0.39
HRH3 Q9Y5N1 3/20 0.39
ACHE P22303 7/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.37
EPHX2 P34913 1/20 0.37
BCHE P06276 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL8395155 0.92 EPHX1 (0.48) EPHX1SIGMAR1HRH4HRH3EPHX2
SCHEMBL8393248 0.92 EPHX1 (0.48) EPHX1SIGMAR1HRH4HRH3EPHX2
SCHEMBL8394813 0.91 HRH4 (0.48) EPHX1SIGMAR1HRH4HRH3EPHX2
SCHEMBL8391354 0.91 HRH4 (0.48) EPHX1SIGMAR1HRH4HRH3EPHX2
SCHEMBL8397010 0.88 EPHX1 (0.45) EPHX1SIGMAR1HRH4HRH3TDP1
SCHEMBL9998079 0.86 EPHX1 (0.43) EPHX1SIGMAR1HRH4HRH3KMT2A
SCHEMBL4077144 0.83 TDP1 (0.59) EPHX1TDP1GAAMEN1KMT2A
SCHEMBL8393965 0.83 ACHE (0.47) HRH4HRH3ACHEKMT2A
SCHEMBL8391372 0.80 EPHX1 (0.53) EPHX1SIGMAR1HRH4HRH3EPHX2
SCHEMBL8393398 0.80 EPHX1 (0.49) EPHX1SIGMAR1HRH4HRH3EPHX2

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed