SCHEMBL9764923

SCHEMBL9764923

CC(CCc1ccc2c(c1)oc1ccccc12)N(O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
ECE1 P42892 7/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MME P08473 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR2B P41595 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL9764912 0.80 ALOX5 (0.47) RAB9ASMN1; SMN2CYP1A2GAAALOX5
SCHEMBL9764922 0.78 ALOX5 (0.49) MMP12MMP13ECE1NPC1RAB9A
SCHEMBL10561801 0.76 CYP1A2 (0.51) MMP12MMP13ECE1NPC1RAB9A
SCHEMBL9764905 0.76 ALOX5 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9764839 0.74 ECE1 (0.44) MMP12MMP13ECE1NPC1RAB9A
SCHEMBL9764900 0.74 ALOX5 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10608085 0.74 ALOX5 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5613442 0.73 MMP12 (0.82) MMP12MMP13ECE1NPC1RAB9A
SCHEMBL10558778 0.73 ALOX5 (0.50) ECE1ALOX5
SCHEMBL16292360 0.73 KDM4E (0.55) MMP12MMP13ECE1NPC1RAB9A

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 6 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
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed
US-4769387-A Dibenzofuran lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1988-09-06 US disclosed