SCHEMBL8944571

SCHEMBL8944571

O=C(O)OCCCC1CCCCCC1

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
SCHEMBL4463801 1.00 EPHX1 (0.56) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL4476046 0.98 EPHX1 (0.53) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8393592 0.94 EPHX1 (0.49) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8391428 0.90 EPHX1 (0.43) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8391420 0.88 EPHX1 (0.46) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL8391122 0.88 EPHX1 (0.46) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL28583411 0.86 CYP1A2 (0.53) EPHX1SMN1; SMN2NAAAFKBP1A
SCHEMBL4463802 0.86 EPHX1 (0.57) EPHX1SMN1; SMN2NAAAFKBP1AASAH1
SCHEMBL8395658 0.85 EPHX1 (0.43) EPHX1SMN1; SMN2NAAA
SCHEMBL8395994 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 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