SCHEMBL9308150

SCHEMBL9308150

O=C(c1cc(F)cc(OSc2ccc3ccccc3c2)c1)C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.34
MCHR1 Q99705 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
HSD11B1 P28845 3/20 0.33
CHEK2 O96017 1/20 0.33
RIPK1 Q13546 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL9308116 0.85 KMT2A (0.38) MGLLL3MBTL1KDM4EALDH1A1KDM2B
SCHEMBL9310079 0.83 ALOX5 (0.45) KDM4EALDH1A1KDM2B
SCHEMBL29078315 0.75 CES2 (0.50) KDM4EALDH1A1KDM2BCHEK2NPC1
SCHEMBL8953658 0.74 HSD11B1 (0.37) MGLLKDM4EALDH1A1KDM2BHSD11B1
SCHEMBL8953741 0.74 KMT2A (0.50) ALDH1A1KDM2B
SCHEMBL9309515 0.73 SLC6A2 (0.32)
SCHEMBL8953563 0.72 MGLL (0.50) MGLLALDH1A1HSD11B1CHEK2
SCHEMBL9309969 0.70 ALOX5 (0.43) L3MBTL1KDM4EALDH1A1KDM2BHSD11B1
SCHEMBL20522128 0.70 HCAR1 (0.44) MGLLALDH1A1HSD11B1CHEK2RAB9A
SCHEMBL8953638 0.67 HRH3 (0.40) ALDH1A1NPC1RAB9A

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