SCHEMBL4579462

SCHEMBL4579462

C=C(C)C(=O)OC(C)Cc1c(C(=O)O)ccc(O)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
CLCN2 P51788 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
BCL2L1 Q07817 2/20 0.30
MCL1 Q07820 2/20 0.30

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
SCHEMBL4577992 0.82 TSHR (0.34) CA1CA2SELLSELPAKR1C2
SCHEMBL10414804 0.77 ALDH1A1 (0.31) ALDH1A1TSHRPOLBAPEX1HTT
SCHEMBL4579149 0.76 POLB (0.42) CA1CA2SELLSELPCLCN2
SCHEMBL4579641 0.75 CA12 (0.38) CA1CA2ALDH1A1TSHRPOLB
SCHEMBL4578227 0.74 POLB (0.46) CA1CA2SELLSELPTSHR
SCHEMBL8733208 0.74 TSHR (0.41) AKR1C2TSHR
SCHEMBL16243722 0.74 POLB (0.42) CA1CA2ALDH1A1TSHRPOLB
SCHEMBL4578717 0.73 POLB (0.48) CA1CA2TSHRPOLBAPEX1
SCHEMBL9493713 0.73 TSHR (0.40) CA1CA2ALDH1A1TSHRTDP1
SCHEMBL4578579 0.72 POLB (0.50) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399569-B2 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJIFILM CORPORATION (JP) 2008-07-15 US disclosed
US-20050187102-A1 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2005-08-25 US disclosed
US-6022664-A MIXTURE OF A POLYMERIZABLE VINYL MONOMER AND ORGANIC BORATE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2000-02-08 US disclosed