SCHEMBL8644367

SCHEMBL8644367

CCN1CCC(C(=O)O)CC1Oc1ccc(Cc2cccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36
S1PR5 Q9H228 3/20 0.36
POLB P06746 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL8641938 0.86 LTA4H (0.52) LTA4HL3MBTL1S1PR5POLB
SCHEMBL8635904 0.83 LTA4H (0.41) LTA4HS1PR5PTGS1PTGS2
SCHEMBL8642217 0.82 LTA4H (0.42) LTA4HS1PR5
SCHEMBL8638267 0.81 HRH3 (0.44) LTA4HMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL8639324 0.78 LTA4H (0.54) LTA4H
SCHEMBL8637399 0.76 LTA4H (0.47) LTA4HL3MBTL1POLB
SCHEMBL8639297 0.76 SCN9A (0.42) KMT2AALDH1A1S1PR5
SCHEMBL7140997 0.73 LTA4H (0.73) LTA4HS1PR5
SCHEMBL8641866 0.73 LTA4H (0.42) LTA4HS1PR5
SCHEMBL8639102 0.73 LTA4H (0.42) LTA4HKMT2AALDH1A1L3MBTL1S1PR5

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