SCHEMBL4730558

SCHEMBL4730558

COc1cccc(C=O)c1O[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.55
SRC P12931 1/20 0.55
ERN1 O75460 3/20 0.51
TLR2 O60603 1/20 0.51
TLR1 Q15399 1/20 0.51
TLR6 Q9Y2C9 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ALDH1A1 P00352 5/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
NFE2L2 Q16236 5/20 0.43
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
O-Veratraldehyde SCHEMBL28289918 0.81 SRC (0.67) PRMT1SRCERN1TLR2TLR1
O-Veratraldehyde SCHEMBL319070 0.81 SRC (0.67) PRMT1SRCERN1TLR2TLR1
O-Veratraldehyde SCHEMBL29923149 0.81 SRC (0.67) PRMT1SRCERN1TLR2TLR1
SCHEMBL9148490 0.80 NPC1 (0.53) PRMT1SRCERN1TLR2TLR1
SCHEMBL10434914 0.79 SRC (0.65) PRMT1SRCERN1TLR2TLR1
SCHEMBL594444 0.78 ERN1 (0.56) PRMT1SRCERN1TLR2TLR1
SCHEMBL29708088 0.78 ERN1 (0.56) PRMT1SRCERN1TLR2TLR1
SCHEMBL8964023 0.77 ALDH1A1 (0.54) PRMT1SRCERN1TLR2TLR1
SCHEMBL11265435 0.77 ALDH1A1 (0.62) PRMT1ALDH1A1MAPTNPC1RAB9A
SCHEMBL5816489 0.77 ERN1 (0.57) ERN1CA1CA2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008042497-A2 BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS USEFUL AS AUTHENTICATION COMPOUNDS IN POLYMER ARTICLES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-04-10 WO disclosed