SCHEMBL8944499

SCHEMBL8944499

CCOC(=O)NCCC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
HRH4 Q9H3N8 5/20 0.46
HRH3 Q9Y5N1 5/20 0.46
SIGMAR1 Q99720 2/20 0.44
BCHE P06276 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
METAP2 P50579 1/20 0.41
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL8396174 0.98 EPHX1 (0.51) EPHX1HRH4HRH3SIGMAR1BCHE
SCHEMBL8397097 0.98 EPHX1 (0.51) EPHX1HRH4HRH3SIGMAR1BCHE
SCHEMBL8397005 0.96 EPHX1 (0.45) EPHX1HRH4HRH3SIGMAR1BCHE
SCHEMBL8395535 0.93 HRH4 (0.45) EPHX1HRH4HRH3L3MBTL1GLA
SCHEMBL8396767 0.90 HRH4 (0.49) EPHX1HRH4HRH3SIGMAR1ACHE
SCHEMBL8392734 0.88 HRH4 (0.51) EPHX1HRH4HRH3SIGMAR1L3MBTL1
SCHEMBL8396985 0.88 HRH4 (0.51) EPHX1HRH4HRH3SIGMAR1L3MBTL1
SCHEMBL8393995 0.86 HRH4 (0.46) EPHX1HRH4HRH3SIGMAR1ACHE
SCHEMBL8111965 0.85 HRH4 (0.40) EPHX1HRH4HRH3L3MBTL1GLA
SCHEMBL8972147 0.85 TPSAB1 (0.45) EPHX1HRH4HRH3SIGMAR1GLA

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

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