SCHEMBL8639102

SCHEMBL8639102

CCc1cc(Cc2ccccc2)ccc1OC1CC(C(=O)O)CCN1CC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.42
HRH1 P35367 2/20 0.40
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8641866 0.90 LTA4H (0.42) LTA4HNPC1RAB9ASMN1; SMN2S1PR5
SCHEMBL8641938 0.85 LTA4H (0.52) LTA4HHRH1SCN1ASCN2ASCN3A
SCHEMBL8642217 0.77 LTA4H (0.42) LTA4HS1PR5
SCHEMBL8639324 0.77 LTA4H (0.54) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL8637399 0.74 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8635904 0.73 LTA4H (0.41) LTA4HS1PR5
SCHEMBL8644367 0.73 LTA4H (0.42) LTA4HL3MBTL1S1PR5ALDH1A1KMT2A
SCHEMBL8639583 0.72 LTA4H (0.46) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8639136 0.70 SMN1; SMN2 (0.42) LTA4HSMN1; SMN2CD274ALDH1A1
SCHEMBL8641861 0.70 LTA4H (0.47) LTA4HHRH1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US claimed
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