SCHEMBL8639309

SCHEMBL8639309

CCN(Oc1ccc(Cc2ccccc2)cc1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
HRH1 P35367 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL8635902 0.98 LTA4H (0.46) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9343894 0.82 KDM4E (0.38) LTA4HHTTL3MBTL1KDM4E
SCHEMBL6767445 0.75 LTA4H (0.57) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9056397 0.74 G6PC1 (0.41) LTA4HL3MBTL1MEN1KMT2AUSP2
SCHEMBL8808702 0.74 AGER (0.53) MEN1KMT2AUSP2HPGDHSD17B10
SCHEMBL2130214 0.72 LTA4H (0.48) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8809140 0.71 PSEN1 (0.42) LTA4HMEN1KMT2A
SCHEMBL27949438 0.70 HRH1 (0.73) LTA4HHRH1KDM4EMEN1ALDH1A1
SCHEMBL27323330 0.69 SLC18A3 (0.45) L3MBTL1ALDH1A1USP2HPGDHSD17B10
SCHEMBL3375958 0.67 GRIN2B (0.60) LTA4HL3MBTL1KDM4EMEN1ALDH1A1

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