SCHEMBL9004229

SCHEMBL9004229

C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
APEX1 P27695 1/20 0.70
HTT P42858 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
LMNA P02545 4/20 0.64
NPC1 O15118 3/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 4/20 0.57
MAPT P10636 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL20777010 0.99 POLB (0.68) POLBAPEX1HTTTDP1LMNA
SCHEMBL13572525 0.96 POLB (0.65) POLBAPEX1HTTTDP1LMNA
SCHEMBL16921471 0.96 POLB (0.75) POLBAPEX1HTTTDP1LMNA
SCHEMBL14097952 0.95 POLB (0.72) POLBAPEX1HTTTDP1LMNA
SCHEMBL21286708 0.94 POLB (0.71) POLBAPEX1HTTTDP1LMNA
SCHEMBL1532227 0.93 POLB (0.61) POLBAPEX1HTTTDP1LMNA
SCHEMBL223942 0.93 POLB (0.61) POLBAPEX1HTTTDP1LMNA
SCHEMBL13572529 0.93 POLB (0.61) POLBAPEX1HTTTDP1LMNA
SCHEMBL12768436 0.93 POLB (0.61) POLBAPEX1HTTTDP1LMNA
SCHEMBL12768640 0.93 POLB (0.61) POLBAPEX1HTTTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543267-A Photo-induced optically anisotropic amorphous film materials from side group polymers AGFA-GEVAERT AG (DE) 1996-08-06 US disclosed