SCHEMBL7565572

SCHEMBL7565572

C=C(C)C(=O)OCCOCCc1ccc(CCOCCOC(=O)C(=C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.59
TSHR P16473 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
THRA P10827 1/20 0.38
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP4F2 P78329 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
SCHEMBL9159591 0.92 THRB (0.54) THRBTSHRTDP1POLBAPEX1
SCHEMBL14981549 0.91 THRB (0.54) THRBTSHRTDP1POLBAPEX1
SCHEMBL11921516 0.91 THRB (0.55) THRBTSHRTDP1POLBAPEX1
SCHEMBL12680076 0.89 THRB (0.53) THRBTSHRTDP1POLBAPEX1
SCHEMBL22566492 0.89 THRB (0.53) THRBTSHRTDP1POLBAPEX1
SCHEMBL20549118 0.88 THRB (0.47) THRBTSHRTDP1POLBAPEX1
SCHEMBL17036987 0.88 POLB (0.55) THRBTDP1POLBAPEX1HTT
SCHEMBL12680078 0.87 THRB (0.50) THRBTSHRTDP1POLBAPEX1
SCHEMBL145599 0.86 THRB (0.51) THRBTSHRTDP1POLBAPEX1
SCHEMBL7563917 0.86 THRB (0.59) THRBTSHRTDP1POLBAPEX1

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
EP-0940694-B1 Photochromic curable composition TOKUYAMA CORP (JP) 2002-08-14 EP disclosed
US-6194511-B1 COMPRISING POLYMERIZABLE MONOMER CONTAINING SULFUR-CONTAINING (METH)ACRYLATE POLYMERIZABLE MONOMER AND PHOTOCHROMIC COMPOUND TOKUYAMA CORPORATION (JP) 2001-02-27 US disclosed
EP-0940694-A1 Photochromic curable composition TOKUYAMA CORPORATION (JP) 1999-09-08 EP disclosed