SCHEMBL8637149

SCHEMBL8637149

CCN1CCC(C(=O)OOc2ccc(Cc3ccsc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.44
KDM4E B2RXH2 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8642321 0.82 HSD17B10 (0.47) LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL8644158 0.79 LTA4H (0.60) LTA4H
SCHEMBL28783135 0.77 CCR8 (0.49) LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL7136199 0.77 LTA4H (0.76) LTA4HHRH3
SCHEMBL8637340 0.76 LTA4H (0.63) LTA4H
SCHEMBL8635900 0.76 LTA4H (0.52) LTA4HKDM4EHRH3CYP1A2CYP2C9
SCHEMBL8640519 0.75 RECQL (0.45) HRH3ALDH1A1SMN1; SMN2
SCHEMBL8641935 0.73 LTA4H (0.61) LTA4HSMN1; SMN2
SCHEMBL7139263 0.72 LTA4H (0.75) LTA4HHRH3
SCHEMBL7132081 0.72 LTA4H (0.74) LTA4HHRH3

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