SCHEMBL8395193

SCHEMBL8395193

O=C(NCCC1CCCCCC1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
RAB9A P51151 2/20 0.67
ALDH1A1 P00352 1/20 0.67
GAA P10253 1/20 0.67
ACHE P22303 1/20 0.64
NPC1 O15118 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LDLR P01130 1/20 0.55
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
EPHX2 P34913 1/20 0.53

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
SCHEMBL8396478 1.00 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AALDH1A1GAAACHE
SCHEMBL8393679 0.98 ACHE (0.66) SMN1; SMN2RAB9AALDH1A1GAAACHE
SCHEMBL8391438 0.95 ACHE (0.66) SMN1; SMN2RAB9AALDH1A1GAAACHE
SCHEMBL8393574 0.92 ACHE (0.69) SMN1; SMN2RAB9AALDH1A1GAAACHE
SCHEMBL10724023 0.92 LDLR (0.62) SMN1; SMN2RAB9AALDH1A1GAAACHE
SCHEMBL8391413 0.91 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AALDH1A1GAAACHE
SCHEMBL8393231 0.91 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AALDH1A1GAAACHE
SCHEMBL10720512 0.89 ITGB3 (0.64) SMN1; SMN2RAB9AALDH1A1GAAACHE
SCHEMBL8391362 0.89 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AALDH1A1GAAACHE
SCHEMBL24429262 0.86 CHRM4 (0.60) SMN1; SMN2RAB9AACHENPC1EPHX2

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