SCHEMBL9308093

SCHEMBL9308093

O=C(c1cccc(OCc2ccc3ccccc3c2)c1)C1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
ALOX5 P09917 6/20 0.51
ALDH1A1 P00352 1/20 0.51
F2 P00734 2/20 0.50
NR4A2 P43354 2/20 0.47
NAAA Q02083 1/20 0.47
KDM2B Q8NHM5 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL9307254 0.84 ALOX5 (0.64) ALOX5ALDH1A1KDM2B
SCHEMBL25890274 0.83 ALOX5 (0.51) ALOX5ALDH1A1F2
SCHEMBL4638462 0.80 F2 (0.68) MRGPRX4F2NR4A2MAOB
SCHEMBL29078315 0.79 CES2 (0.50) ALDH1A1KDM2B
SCHEMBL8953864 0.79 MAOB (0.47) ALDH1A1NR4A2KDM2BMAOB
SCHEMBL22717033 0.79 NR4A2 (0.70) MRGPRX4ALDH1A1NR4A2NAAAKDM2B
SCHEMBL8953796 0.78 KMT2A (0.51) ALDH1A1NR4A2KDM2BMAOB
SCHEMBL9308116 0.78 KMT2A (0.38) ALDH1A1KDM2B
SCHEMBL8953863 0.78 ALDH1A1 (0.45) ALDH1A1NR4A2KDM2BMAOB
SCHEMBL9186121 0.77 MAOB (0.74) MRGPRX4F2MAOB

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-5354865-A Enzyme inhibitor and inhibiting the leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994005281-A1 PHENYLMETHYL DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1994-03-17 WO disclosed