SCHEMBL7138018

SCHEMBL7138018

CC1CCCC(C)N1C(=O)COc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
GLA P06280 1/20 0.62
HPGD P15428 1/20 0.62
LTA4H P09960 3/20 0.59
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 1/20 0.53
ATM Q13315 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
FAAH O00519 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL27434790 0.77 ALDH1A1 (1.00) ALDH1A1GLAHPGDKMT2AMEN1
SCHEMBL7137220 0.77 ALDH1A1 (0.72) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL4083384 0.74 ALDH1A1 (0.57) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL7137968 0.74 LTA4H (1.00) LTA4H
SCHEMBL11528650 0.74 LMNA (0.59) LTA4HL3MBTL1
SCHEMBL5004504 0.73 ALOX15 (0.70) ALDH1A1LTA4HKMT2AMEN1L3MBTL1
SCHEMBL11189472 0.72 ALDH1A1 (0.68) ALDH1A1GLAHPGDKMT2AMEN1
SCHEMBL5061453 0.72 CCR1 (0.62) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL5061456 0.72 CCR1 (0.62) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL5061450 0.72 CCR1 (0.62) ALDH1A1KMT2AMEN1GAAL3MBTL1

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 5 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-1221441-A2 LTA4 Hydrolase inhibitors G.D. SEARLE & CO. (US) 2002-07-10 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