SCHEMBL6715407

SCHEMBL6715407

OC(=S)c1cc(O)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.60
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
CA7 P43166 5/20 0.60
CA9 Q16790 5/20 0.60
CA14 Q9ULX7 5/20 0.60
ALOX5 P09917 2/20 0.60
PTGS2 P35354 1/20 0.60
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
GUSB P08236 1/20 0.43
CHRNA7 P36544 4/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL27854521 0.76 ALOX15 (0.59) GAAMEN1KMT2AKDM4ECES2
SCHEMBL3187690 0.76 CSNK2A1 (0.63) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL6400714 0.76 MAOB (0.46) CA1CA2CA9CA14ALDH1A1
SCHEMBL11449961 0.76 ERN1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL6401692 0.76 CA1 (0.63) CA1CA2ALDH1A1TSHRMEN1
SCHEMBL3175667 0.76 ALDH1A1 (0.51) ALDH1A1GAAMEN1KMT2ALMNA
Gentisic Acid SCHEMBL2053863 0.75 CA1 (1.00) CA12CA1CA2CA7CA9
Gentisic Acid SCHEMBL29349919 0.75 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL14213370 0.75 CA12 (0.60) CA12CA1CA2CA7CA9
Gentisic Acid SCHEMBL30233582 0.75 CA1 (1.00) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209012-A1 Ink-jet recording sheet with improved ozone resistance and light fastness FELIX SCHOELLER JR. FOTO - UND SPEZIALPAPIERE GMBH & CO. KG (DE) 2004-10-21 US claimed
US-6605142-B1 Copper, nickel, or manganese carboxylate and colorant; ink jet printing AVECIA LIMITED (GB) 2003-08-12 US claimed
CN-1373795-A Chemical composition for ink AVECIA LTD (GB) 2002-10-09 CN claimed
EP-1153093-A1 CHEMICAL COMPOSITION FOR INK Avecia Limited (GB) 2001-11-14 EP claimed
WO-2000037574-A1 CHEMICAL COMPOSITION FOR INK AVECIA LIMITED (GB) 2000-06-29 WO claimed
US-20040209012-A1 Ink-jet recording sheet with improved ozone resistance and light fastness FELIX SCHOELLER JR. FOTO - UND SPEZIALPAPIERE GMBH & CO. KG (DE) 2004-10-21 US disclosed
US-6605142-B1 Copper, nickel, or manganese carboxylate and colorant; ink jet printing AVECIA LIMITED (GB) 2003-08-12 US disclosed
CN-1373795-A Chemical composition for ink AVECIA LTD (GB) 2002-10-09 CN disclosed
EP-1153093-A1 CHEMICAL COMPOSITION FOR INK Avecia Limited (GB) 2001-11-14 EP disclosed
WO-2000037574-A1 CHEMICAL COMPOSITION FOR INK AVECIA LIMITED (GB) 2000-06-29 WO disclosed