SCHEMBL8395994

SCHEMBL8395994

[O]C(=O)OCCCC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
NAAA Q02083 9/20 0.50
FKBP1A P62942 6/20 0.48
ASAH1 Q13510 1/20 0.46

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
SCHEMBL8394197 1.00 EPHX1 (0.56) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL9040028 0.98 EPHX1 (0.53) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8393588 0.94 EPHX1 (0.49) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8391425 0.90 EPHX1 (0.43) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8391120 0.88 EPHX1 (0.46) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8391417 0.88 EPHX1 (0.46) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL4463802 0.86 EPHX1 (0.57) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8395653 0.85 EPHX1 (0.43) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL4463801 0.84 EPHX1 (0.56) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8944571 0.84 EPHX1 (0.56) EPHX1SMN1; SMN2NAAAFKBP1AASAH1

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-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
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed