SCHEMBL6536425

SCHEMBL6536425

C=C(C)C(=O)Oc1ccc(C(=O)O)c(O)c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.42
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA7 P43166 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ CA14 Q9ULX7 4/20 0.42
▸ MAPT P10636 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CASP9 P55211 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 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
SCHEMBL27728615 0.88 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL6536386 0.83 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL1319878 0.77 CFD (0.45) CA12CA1CA2CA7CA9
SCHEMBL27962389 0.77 HSD17B2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL28058206 0.77 TSHR (0.49) CA12CA1CA2CA7CA9
SCHEMBL27488935 0.76 ELANE (0.40) CA12CA1CA2CA7CA9
SCHEMBL1319507 0.75 NR1H2 (0.37) CA12CA1CA2CA7CA9
SCHEMBL11565079 0.74 TDP1 (0.45) MAPTTDP1TSHRPOLBLMNA
SCHEMBL15495837 0.74 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3173907 0.73 TSHR (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713523-B2 DECOLORING DYES FUJI PHOTO FILM CO., LTD. (JP) 2004-03-30 — — US disclosed
US-20020168494-A1 Photopolymerizable composition and photosensitive thermal recording material FUJI PHOTO FILM CO., LTD. 2002-11-14 — — US disclosed
US-5091280-A Photothermography; microencapsulated leuco dyes, polymerizable vinyl monomer, photoinitiator electron acceptive developer FUJI PHOTO FILM CO., LTD. (JP) 1992-02-25 — — US disclosed
EP-0412570-A2 Light- and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-02-13 — — EP disclosed
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