SCHEMBL9764809

SCHEMBL9764809

NC(=O)N(O)CCc1ccc2c(c1)oc1cc(Cc3ccccc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.40
PLA2G2A P14555 2/20 0.40
ALOX5 P09917 4/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
ECE1 P42892 2/20 0.38
MME P08473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B3 P37058 1/20 0.37
HTR2B P41595 1/20 0.37
HNF4A P41235 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
SCHEMBL9764922 0.90 ALOX5 (0.49) ALOX5MMP12MMP13ECE1MME
SCHEMBL9764852 0.82 PLA2G10 (0.40) PLA2G10PLA2G2AALOX5SLCO1B1MTNR1A
SCHEMBL10561801 0.82 CYP1A2 (0.51) ALOX5MMP12MMP13ECE1MME
SCHEMBL9764839 0.78 ECE1 (0.44) MMP12MMP13ECE1MMEMEN1
SCHEMBL9764897 0.77 ALOX5 (0.48) ALOX5MMP12MMP13ECE1MME
SCHEMBL10558778 0.76 ALOX5 (0.50) ALOX5ECE1
SCHEMBL9373618 0.76 ALOX5 (0.57) ALOX5MEN1KMT2A
SCHEMBL19155292 0.76 AHR (0.52) MMP12MMP13ECE1MMEMEN1
SCHEMBL9764821 0.76 KMT2A (0.45) MMP12MMP13ECE1MMEMEN1
SCHEMBL9764895 0.75 NPC1 (0.47) ALOX5MMP12MMP13ECE1MME

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