SCHEMBL8635939

SCHEMBL8635939

CCN1CCC[C@H]1C(=O)OOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.60
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
SPHK1 Q9NYA1 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
FKBP1A P62942 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1878985 0.78 FKBP1A (0.58) LTA4HMEN1KMT2APOLBFKBP1A
SCHEMBL15626755 0.78 FKBP1A (0.58) LTA4HMEN1KMT2APOLBFKBP1A
SCHEMBL13832798 0.78 FKBP1A (0.58) LTA4HMEN1KMT2APOLBFKBP1A
SCHEMBL8644158 0.77 LTA4H (0.60) LTA4HL3MBTL1
SCHEMBL8640066 0.76 LTA4H (0.56) LTA4HALDH1A1KDM4EL3MBTL1
SCHEMBL7142480 0.75 LTA4H (1.00) LTA4HMEN1KMT2AALDH1A1KDM4E
SCHEMBL8637340 0.74 LTA4H (0.63) LTA4H
SCHEMBL26694862 0.74 POLB (0.53) LTA4HMEN1KMT2APOLBSPHK1
SCHEMBL8641249 0.73 LTA4H (0.47) LTA4HMEN1KMT2ASPHK1HRH3
SCHEMBL7137211 0.72 LTA4H (0.71) LTA4HMEN1KMT2AHRH3ALDH1A1

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