SCHEMBL9150310

SCHEMBL9150310

O=C(O)C(CC1CCCCC1)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.57
PARP10 Q53GL7 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
HPGD P15428 2/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADAMTS4 O75173 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9147801 0.88 ALOX5 (0.52) ALOX5PARP10HDAC6HPGDRECQL
SCHEMBL9430637 0.86 ALOX5 (0.51) ALOX5PARP10HDAC6HPGDRECQL
SCHEMBL9151622 0.86 ALOX5 (0.51) ALOX5PARP10HDAC6HPGDRECQL
SCHEMBL2648890 0.83 KDM4E (0.49) ALOX5PARP10HDAC6KDM4ESMN1; SMN2
SCHEMBL7752019 0.83 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL9556595 0.82 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL2647518 0.78 NPY5R (0.53) ALOX5ALDH1A1SMN1; SMN2
SCHEMBL7751568 0.77 ALOX5 (0.67) ALOX5HDAC6
SCHEMBL2652805 0.76 FFAR1 (0.49)
SCHEMBL1418773 0.76 CYP2C19 (0.47) HPGDKDM4ELMNA

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
EP-0666849-A4 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1995-12-13 EP claimed
EP-0666849-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-16 EP claimed
US-5358955-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1994-10-25 US claimed
WO-1994010148-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-11 WO claimed
EP-0666849-A4 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1995-12-13 EP disclosed
EP-0666849-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-16 EP disclosed
US-5358955-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1994-10-25 US disclosed
WO-1994010148-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-11 WO disclosed