SCHEMBL8395658

SCHEMBL8395658

O=C(O)OCCC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
CHRM2 P08172 4/20 0.37
CHRM4 P08173 4/20 0.37
CHRM5 P08912 4/20 0.37
CHRM1 P11229 4/20 0.37
CHRM3 P20309 4/20 0.37
KLK7 P49862 1/20 0.37
NAAA Q02083 3/20 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
SCHEMBL8391122 0.98 EPHX1 (0.46) EPHX1LMNASMN1; SMN2HPGDCHRM2
SCHEMBL8391420 0.98 EPHX1 (0.46) EPHX1LMNASMN1; SMN2HPGDCHRM2
SCHEMBL8394724 0.95 EPHX1 (0.40) EPHX1LMNASMN1; SMN2HPGDCHRM2
SCHEMBL8393822 0.91
SCHEMBL4476046 0.87 EPHX1 (0.53) EPHX1SMN1; SMN2NAAA
SCHEMBL8944571 0.85 EPHX1 (0.56) EPHX1SMN1; SMN2NAAA
SCHEMBL4463801 0.85 EPHX1 (0.56) EPHX1SMN1; SMN2NAAA
SCHEMBL8007105 0.83 KLK7 (0.35) EPHX1LMNASMN1; SMN2CHRM2CHRM4
SCHEMBL8007113 0.83 KLK7 (0.35) EPHX1LMNASMN1; SMN2CHRM2CHRM4
SCHEMBL8393592 0.83 EPHX1 (0.49) EPHX1SMN1; SMN2NAAA

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