SCHEMBL7140903

SCHEMBL7140903

c1ccc(Cc2ccc(OCCNC3CCCCC3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.79
ALDH1A1 P00352 6/20 0.79
KMT2A Q03164 3/20 0.79
MEN1 O00255 2/20 0.79
FOXM1 Q08050 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.63
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
LTA4H P09960 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL7135308 0.99 KDM4E (0.81) KDM4EALDH1A1KMT2AMEN1FOXM1
SCHEMBL2352175 0.88 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1FOXM1
SCHEMBL29045839 0.87 FOXM1 (0.85) KDM4EALDH1A1KMT2AMEN1FOXM1
SCHEMBL11876550 0.84 KDM4E (0.58) KDM4EALDH1A1KMT2AMEN1FOXM1
SCHEMBL23074698 0.83 ALDH1A1 (0.70) KDM4EALDH1A1KMT2AMEN1FOXM1
SCHEMBL12204135 0.83 ALDH1A1 (0.70) KDM4EALDH1A1KMT2AMEN1FOXM1
SCHEMBL29045824 0.83 FOXM1 (0.95) KDM4EALDH1A1KMT2AMEN1FOXM1
SCHEMBL11876541 0.83 FOXM1 (0.59) KDM4EALDH1A1KMT2AMEN1FOXM1
SCHEMBL5264483 0.82 KDM4E (0.66) KDM4EALDH1A1KMT2AMEN1FOXM1
SCHEMBL29045785 0.81 FOXM1 (0.97) KDM4EALDH1A1KMT2AMEN1FOXM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506876-B1 LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. 2003-01-14 US disclosed
EP-0804427-B1 LTA4 HYDROLASE INHIBITORS SEARLE & CO (US) 2002-09-18 EP disclosed
EP-1221441-A2 LTA4 Hydrolase inhibitors G.D. SEARLE & CO. (US) 2002-07-10 EP disclosed
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
EP-0786992-A2 LTA 4? HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1997-08-06 EP disclosed
US-5585492-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES WHICH ARE MEDIATED BY LTB4 PRODUCTION, SUCH AS PSORIASIS, ULCERATIVE COLITIS, IRRITABLE BOWEL DISEASE AND ASTHMA G. D. SEARLE & CO. (US) 1996-12-17 US disclosed
WO-1996010999-A2 LTA4 HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed