SCHEMBL19199693

SCHEMBL19199693

O=[N+]([O-])c1cc(O)c(O)c(O)c1CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
SNCA P37840 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
XDH P47989 1/20 0.44

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
SCHEMBL19199330 0.81 CA1 (0.49) GPR35ALDH1A1ALOX15ALOX12HPGD
SCHEMBL19199361 0.79 DTYMK (0.41) GPR35ALDH1A1KMT2ATDP1CA1
SCHEMBL19200157 0.79 XDH (0.44) GPR35ALDH1A1ALOX15ALOX12HPGD
SCHEMBL5590498 0.76 GPR35 (0.47) GPR35ALDH1A1ALOX15ALOX12HPGD
SCHEMBL6036336 0.75 CYP1A2 (0.44) GPR35ALDH1A1ALOX15ALOX12HPGD
SCHEMBL9300495 0.74 GPR35 (0.53) GPR35ALDH1A1ALOX15ALOX12HPGD
SCHEMBL8744302 0.74 ALDH1A1 (0.53) GPR35ALDH1A1ALOX15ALOX12HPGD
SCHEMBL8214082 0.74 ALDH1A1 (0.44) GPR35ALDH1A1HPGDMAPK1SNCA
SCHEMBL8848416 0.73 TTR (0.58) GPR35ALDH1A1ALOX15ALOX12HPGD
SCHEMBL5589391 0.73 GPR35 (0.44) GPR35ALDH1A1ALOX15ALOX12HPGD

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-2017132484-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed