SCHEMBL9764824

SCHEMBL9764824

CCCC(=O)ON(CCc1ccc2c(c1)oc1ccccc12)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ECE1 P42892 3/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2B P41595 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NAMPT P43490 1/20 0.38
MME P08473 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9764876 0.81 GABRP (0.35) NPC1RAB9ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL9764895 0.78 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ECE1CYP1A2
SCHEMBL9764922 0.77 ALOX5 (0.49) NPC1RAB9ASMN1; SMN2ECE1CYP1A2
SCHEMBL9764839 0.76 ECE1 (0.44) NPC1RAB9ASMN1; SMN2ECE1CYP1A2
SCHEMBL10593822 0.73 BCHE (0.44) NPC1RAB9ASMN1; SMN2ECE1MAOB
SCHEMBL21510705 0.73 CYP1A2 (0.53) NPC1RAB9ASMN1; SMN2ECE1CYP1A2
SCHEMBL10561801 0.72 CYP1A2 (0.51) NPC1RAB9ASMN1; SMN2ECE1CYP1A2
SCHEMBL9833540 0.72 ALOX5 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL28263509 0.71 CYP1A2 (0.58) NPC1RAB9ASMN1; SMN2ECE1CYP1A2
SCHEMBL9764923 0.70 MMP12 (0.48) NPC1RAB9ASMN1; SMN2ECE1CYP1A2

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