SCHEMBL8635900

SCHEMBL8635900

CCOC(=O)C1CCN(Oc2ccc(Cc3ccsc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
KDM4E B2RXH2 4/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7136199 0.83 LTA4H (0.76) LTA4HHRH3TSHR
SCHEMBL8642317 0.82 MEN1 (0.60) LTA4HKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL8637337 0.76 LTA4H (0.60) LTA4HALDH1A1PKMNPC1MAPT
SCHEMBL8637149 0.76 LTA4H (0.44) LTA4HKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL8639296 0.75 ALDH1A1 (0.56) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL8637144 0.70 LTA4H (0.47) LTA4HALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8635904 0.69 LTA4H (0.41) LTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL7139263 0.68 LTA4H (0.75) LTA4HHRH3
SCHEMBL1900326 0.68 LTA4H (1.00) LTA4HHRH3
SCHEMBL7132081 0.67 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