SCHEMBL8316646

SCHEMBL8316646

COc1cccc(OC(=O)C2CCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
KMT2A Q03164 4/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
ATM Q13315 1/20 0.50
USP2 O75604 1/20 0.50
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL8587545 0.95 POLB (0.70) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL4120652 0.93 POLB (0.58) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL2475467 0.88 POLB (0.52) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL8320550 0.83 KMT2A (0.81) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL8589037 0.83 KMT2A (0.69) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL4609736 0.83 POLB (0.70) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL23291774 0.81 POLB (0.63) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL2535206 0.81 POLB (0.63) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL27965851 0.81 POLB (0.63) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL4805229 0.80 KMT2A (0.75) POLBKMT2AHTTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 CN claimed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 CN disclosed