SCHEMBL7969089

SCHEMBL7969089

CCOCCOc1ccc(OB(O)O)cc1OCCOCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CASP6 P55212 1/20 0.40
NCF1 P14598 4/20 0.38
L3MBTL1 Q9Y468 6/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
THRA P10827 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
APP P05067 1/20 0.34
INPPL1 O15357 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7931739 0.97 POLB (0.44) POLBCASP6NCF1L3MBTL1TDP1
SCHEMBL7222571 0.88 POLB (0.42) POLBCASP6L3MBTL1TDP1CYP1A2
SCHEMBL7922026 0.88 HTT (0.39) NCF1L3MBTL1THRAMEN1KMT2A
SCHEMBL7969081 0.87 NCF1 (0.40) POLBCASP6NCF1L3MBTL1TDP1
SCHEMBL6344981 0.87 L3MBTL1 (0.38) NCF1L3MBTL1TDP1CYP1A2CYP2D6
SCHEMBL6344107 0.87 L3MBTL1 (0.47) POLBL3MBTL1TDP1MEN1KMT2A
SCHEMBL7922019 0.85 MAPT (0.45) POLBCASP6L3MBTL1MEN1KMT2A
SCHEMBL6343600 0.85 KDM4E (0.44) POLBCASP6L3MBTL1TDP1CYP1A2
SCHEMBL7929514 0.84 POLB (0.43) POLBCASP6L3MBTL1TDP1CYP1A2
SCHEMBL7931735 0.84 L3MBTL1 (0.44) POLBCASP6NCF1L3MBTL1TDP1

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-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed