SCHEMBL8637767

SCHEMBL8637767

CCC(NC(=O)C1CCNCC1)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH1 P35367 2/20 0.47
LTA4H P09960 2/20 0.44
ACACB O00763 4/20 0.43
F10 P00742 1/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL8639322 0.74 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HRH1LTA4HF10
SCHEMBL8635989 0.73 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2HRH1LTA4HITGB3
SCHEMBL8640865 0.71 HRH1 (0.50) ALDH1A1SMN1; SMN2HRH1LTA4H
SCHEMBL13033926 0.71 LMNA (0.56) ALDH1A1
SCHEMBL2633261 0.70 LMNA (0.68) ALDH1A1ITGB3ITGA2B
SCHEMBL8644228 0.69 LTA4H (0.52) ALDH1A1SMN1; SMN2HRH1LTA4HITGB3
SCHEMBL1980094 0.68 GHSR (0.45) ALDH1A1ITGB3ITGA2B
SCHEMBL8637335 0.68 LTA4H (0.56) ALDH1A1HRH1LTA4HITGB3ITGA2B
SCHEMBL11390159 0.68 RECQL (0.75) ALDH1A1SMN1; SMN2ACACB
SCHEMBL8641254 0.67 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LTA4H

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed