SCHEMBL9442095

SCHEMBL9442095

Cc1c[nH]c2cc(O)c(O)cc12.O=C(O)c1cc2cc(O)c(O)cc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.69
PIN1 Q13526 1/20 0.48
SMAD3 P84022 1/20 0.45
EIF4A3 P38919 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PDPK1 O15530 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 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
SCHEMBL49512 0.83 GPR35 (1.00) GPR35PIN1SMAD3EIF4A3CA12
SCHEMBL9510926 0.82 GPR35 (0.44) GPR35CA12CA1CA2CA9
SCHEMBL8520252 0.80 SRC (0.39) GPR35CA12CA1CA2CA9
SCHEMBL7040376 0.80 GPR35 (0.73) GPR35PIN1SMAD3EIF4A3CA12
SCHEMBL435044 0.78 SRC (0.48) GPR35KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL29638857 0.78 SRC (0.48) GPR35KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9279858 0.75 GPR35 (0.75) GPR35PIN1SMAD3EIF4A3CA12
SCHEMBL7682186 0.74 GPR35 (0.63) GPR35PIN1SMAD3EIF4A3KDM4E
SCHEMBL31335635 0.73 CSNK2A1 (0.43) KDM4EHPGDHSD17B10F7F3
SCHEMBL24149191 0.71 GPR35 (0.69) GPR35PIN1SMAD3EIF4A3CA12

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
US-5180396-A Process for dyeing keratinous fibres with oxidation dyes combined with indole derivatives and dyeing composition employed L'OREAL (FR) 1993-01-19 US disclosed