SCHEMBL9656351

SCHEMBL9656351

C=C(C)C(=O)OCCCCCCN(CCCCCCOC(=O)C(=C)C)c1ccc(C=Cc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.40
MAOB P27338 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
AKR1C3 P42330 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ATG4B Q9Y4P1 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
SCHEMBL9318568 0.90 POLB (0.40) POLBAPEX1HTTTDP1TSHR
SCHEMBL9318562 0.90 POLB (0.40) POLBAPEX1HTTTDP1TSHR
SCHEMBL9317129 0.84 POLB (0.58) POLBAPEX1HTTTDP1TSHR
SCHEMBL9655692 0.84 LSS (0.41) POLBAPEX1HTTTDP1TSHR
SCHEMBL9846841 0.83 MAOB (0.36) POLBMAOBAKR1C3
SCHEMBL9318742 0.81 POLB (0.41) POLBAPEX1HTTTDP1TSHR
SCHEMBL9318748 0.81 POLB (0.41) POLBAPEX1HTTTDP1TSHR
SCHEMBL16432484 0.81 POLB (0.44) POLBAPEX1HTTTDP1TSHR
SCHEMBL9839495 0.81 TSHR (0.47) POLBAPEX1HTTTDP1TSHR
SCHEMBL9317154 0.80 POLB (0.40) POLBAPEX1HTTTDP1TSHR

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
EP-0313474-B1 AN OPTICAL ARTICLE EXHIBITING A HIGH LEVEL OF SECOND ORDER POLARIZATION SUSCEPTIBILITY EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-12-23 EP disclosed
EP-0313476-B1 AN OPTICAL ARTICLE CONTAINING A POLYMERIC MATRIX EXHIBITING A HIGH LEVEL OF SECOND ORDER POLARIZATION SUSCEPTIBILITY EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-12-23 EP disclosed
EP-0313474-A2 An optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-04-26 EP disclosed
US-4796971-A CHARGE TRANSFER COMPOUND ON CROSSLINKED MATRIX EASTMAN KODAK COMPANY (US) 1989-01-10 US disclosed
US-4792208-A POLAR ALIGNED NONCENTROSYMMETRIC MOLECULAR DIPOLES; SULFONYL MOIETY AS ELECTRON ACCEPTOR EASTMAN KODAK COMPANY (US) 1988-12-20 US disclosed