SCHEMBL9764897

SCHEMBL9764897

NC(=O)N(O)CCc1ccc2c(c1)oc1c(F)cccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
HTR2B P41595 1/20 0.33
ECE1 P42892 4/20 0.32
KMT2A Q03164 2/20 0.32
MME P08473 1/20 0.32
MEN1 O00255 1/20 0.32
MAOA P21397 1/20 0.32
ALB P02768 1/20 0.31
IL2 P60568 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL9764922 0.84 ALOX5 (0.49) ALOX5NPC1RAB9ACYP1A2CYP2D6
SCHEMBL9764809 0.77 PLA2G10 (0.40) ALOX5CYP1A2CYP2D6CYP2C19MMP12
SCHEMBL10561801 0.77 CYP1A2 (0.51) ALOX5NPC1RAB9ACYP1A2CYP2D6
SCHEMBL9764825 0.74 SLC9A1 (0.33) ALOX5DYRK1A
SCHEMBL9764888 0.74 ALOX5 (0.75) ALOX5MAOA
SCHEMBL9764839 0.73 ECE1 (0.44) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL10563244 0.72 ALOX5 (0.45) ALOX5
SCHEMBL9764821 0.71 KMT2A (0.45) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL9764815 0.70 GPR35 (0.43) ALOX5RAB9AKMT2AMEN1
SCHEMBL9764895 0.70 NPC1 (0.47) ALOX5NPC1RAB9ACYP1A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed