SCHEMBL4579606

SCHEMBL4579606

C=C(C)C(=O)OCCCCCc1c(C(=O)O)ccc(O)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARA Q07869 2/20 0.36
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL4578579 1.00 POLB (0.50) POLBAPEX1HTTTDP1TSHR
SCHEMBL4578008 1.00 POLB (0.50) POLBAPEX1HTTTDP1TSHR
SCHEMBL4578717 0.99 POLB (0.48) POLBAPEX1HTTTDP1TSHR
SCHEMBL4578227 0.95 POLB (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL4579149 0.90 POLB (0.42) POLBAPEX1HTTTDP1TSHR
SCHEMBL8150612 0.83 TDP1 (0.54) POLBAPEX1HTTTDP1TSHR
SCHEMBL5523401 0.82 POLB (0.51) POLBAPEX1HTTTDP1TSHR
SCHEMBL29991282 0.82 POLB (0.51) POLBAPEX1HTTTDP1TSHR
SCHEMBL4577977 0.81 TSHR (0.47) HTTTSHRTHRBKAT8
SCHEMBL4579604 0.81 TSHR (0.47) HTTTSHRTHRBKAT8

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