SCHEMBL8428316

SCHEMBL8428316

COc1ccc2ccc(-c3ccc(O)c(O)c3)[o+]c2c1.Oc1ccc(-c2ccc3ccccc3[o+]2)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.45
CD38 P28907 3/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN1 P18031 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6131738 0.93 CD38 (0.49) ALOX5CD38ADORA3MEN1KMT2A
Hydrochloric Acid SCHEMBL6131746 0.92 CD38 (0.48) ALOX5CD38ADORA3MEN1KMT2A
SCHEMBL30891532 0.86 CD38 (0.55) ALOX5CD38NPC1APPMCL1
SCHEMBL6131749 0.86 CD38 (0.55) ALOX5CD38NPC1APPMCL1
Hydrochloric Acid SCHEMBL6131736 0.85 CD38 (0.54) ALOX5CD38NPC1APPMCL1
SCHEMBL11860130 0.80 NPC1 (0.46) CYP1A2CYP2A6L3MBTL1NPC1RAB9A
SCHEMBL7044449 0.80 CD38 (0.54) ALOX5CD38CYP1A2MEN1KMT2A
SCHEMBL7045279 0.80 CD38 (0.54) ALOX5CD38CYP1A2MEN1KMT2A
SCHEMBL30884158 0.76 CD38 (0.45) CD38MEN1KMT2AL3MBTL1NPC1
Perchlorate SCHEMBL6809683 0.75 ABL1 (0.42) CYP1A2CYP2A6MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949897-A1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1999-10-20 EP claimed
WO-1998027940-A1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1998-07-02 WO claimed
EP-0949897-A1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1999-10-20 EP disclosed
WO-1998027940-A1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1998-07-02 WO disclosed