SCHEMBL6519223

SCHEMBL6519223

O=C(O)C1C2C=CC(CCCC2)C1C(=O)OC(=O)C1C2C=CC(CCCC2)C1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.61
TDP1 Q9NUW8 3/20 0.61
APEX1 P27695 1/20 0.61
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.37
EGLN1 Q9GZT9 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 1/20 0.37
FABP7 O15540 3/20 0.35
FABP5 Q01469 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.33
FABP3 P05413 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL721693 0.92 POLB (0.74) POLBTDP1APEX1LMNAALDH1A1
SCHEMBL27495 0.83 POLB (0.59) POLBTDP1APEX1LMNAALDH1A1
SCHEMBL3777075 0.83 POLB (0.59) POLBTDP1APEX1LMNAALDH1A1
SCHEMBL572756 0.83 POLB (0.59) POLBTDP1APEX1LMNAALDH1A1
SCHEMBL3787744 0.83 POLB (0.59) POLBTDP1APEX1LMNAALDH1A1
SCHEMBL4665372 0.83 POLB (0.59) POLBTDP1APEX1LMNAALDH1A1
SCHEMBL19258989 0.81 POLB (0.57) POLBTDP1APEX1LMNAALDH1A1
SCHEMBL16199396 0.81 POLB (0.57) POLBTDP1APEX1LMNAALDH1A1
SCHEMBL15400698 0.81 POLB (0.57) POLBTDP1APEX1LMNAALDH1A1
SCHEMBL16199077 0.81 POLB (0.57) POLBTDP1APEX1LMNAALDH1A1

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-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed