SCHEMBL8418372

SCHEMBL8418372

O=C(O)c1[c]cc(C(=O)O)[c]c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ACMSD Q8TDX5 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CA3 P07451 1/20 0.33
MAPT P10636 1/20 0.33
SELL P14151 1/20 0.33
HPGD P15428 1/20 0.33
SELP P16109 1/20 0.33
FUT4 P22083 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL11318979 0.84 ALOX15 (0.31) TSHRALOX15
SCHEMBL1314264 0.75 ALDH1A1 (0.36) TSHRTP53KDM4ETDP1ALOX15
SCHEMBL6631285 0.73 CA1 (0.41) TSHRTP53KDM4ETDP1ALOX15
SCHEMBL2780243 0.73 TSHR (0.50) TSHRTP53KDM4EALOX15ALDH1A1
SCHEMBL16267153 0.72 ALDH1A1 (0.44) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6634767 0.72 CA1 (0.45) TSHRTP53KDM4ETDP1ALOX15
SCHEMBL7230791 0.72 TSHR (0.40) TSHRTP53ALDH1A1CA12CA1
SCHEMBL4030667 0.72 TPMT (0.44) TSHRTP53KDM4ETDP1ALOX15
SCHEMBL4957915 0.72 TSHR (0.48) TSHRTP53KDM4EALOX15ALDH1A1
SCHEMBL6630337 0.70 ALDH1A1 (0.43) TSHRTP53KDM4ETDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10176129-A None JP disclosed
JP-11058944-A None JP disclosed
JP-H1158944-A AQUEOUS INK SET, COLORING MATERIAL AND COLORING METHOD NIPPON KAYAKU CO LTD 1999-03-02 JP disclosed
JP-H10176129-A WATER-BASE INK COMPOSITION, COLORING MATERIAL AND METHOD FOR COLORING THE SAME NIPPON KAYAKU CO LTD 1998-06-30 JP disclosed
US-4584367-A DYEING CELLULOSE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-04-22 US disclosed