SCHEMBL9307584

SCHEMBL9307584

O=C(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)C1COC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.49
MRGPRX4 Q96LA9 1/20 0.42
RAB9A P51151 3/20 0.41
MCHR1 Q99705 1/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
NR4A2 P43354 2/20 0.40
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL9310396 0.83 ALOX5 (0.63) ALOX5
SCHEMBL9307698 0.80 ALOX5 (0.50) ALOX5MRGPRX4RAB9AMAOB
SCHEMBL8953741 0.77 KMT2A (0.50) NR4A2MAOBMEN1KMT2A
SCHEMBL9000918 0.76 ALOX5 (0.46) ALOX5MRGPRX4RAB9AMCHR1MAOB
SCHEMBL9308093 0.74 MRGPRX4 (0.51) ALOX5MRGPRX4NR4A2MAOB
SCHEMBL9307724 0.73 ALOX5 (0.45) ALOX5
SCHEMBL9310760 0.73 ALOX5 (0.66) ALOX5
SCHEMBL8953638 0.73 HRH3 (0.40) ALOX5RAB9ANPC1NR4A2MAOB
SCHEMBL9081307 0.73 ALOX5 (0.52) ALOX5MRGPRX4RAB9ANPC1MAPT
SCHEMBL26358151 0.72 MEN1 (0.73) ALOX5MRGPRX4RAB9ANPC1MAPT

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