SCHEMBL7948105

SCHEMBL7948105

CC(=O)Oc1cc(C)ccc1C1(COC(=O)Cc2ccc([N+](=O)[O-])cc2)CO1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 3/20 0.49
KMT2A Q03164 2/20 0.49
APEX1 P27695 1/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7953611 0.92 NPSR1 (0.67) NPSR1POLBKMT2AAPEX1ATM
SCHEMBL7951736 0.90 NPSR1 (0.44) NPSR1POLBKMT2AAPEX1ATM
SCHEMBL7948014 0.87 MAPT (0.43) NPSR1POLBKMT2AMAPTLMNA
SCHEMBL7949843 0.86 NPSR1 (0.57) NPSR1POLBKMT2AAPEX1ATM
SCHEMBL7953635 0.86 NPSR1 (0.59) NPSR1POLBKMT2AAPEX1ATM
SCHEMBL7951770 0.86 NPSR1 (0.44) NPSR1POLBKMT2AAPEX1ATM
SCHEMBL7949061 0.85 NPSR1 (0.56) NPSR1POLBKMT2AAPEX1ATM
SCHEMBL7948949 0.80 NPSR1 (0.71) NPSR1POLBKMT2AAPEX1ATM
SCHEMBL7941788 0.78 NPSR1 (0.48) NPSR1POLBKMT2AAPEX1ATM
SCHEMBL7953533 0.78 NPSR1 (0.72) NPSR1POLBKMT2AAPEX1ATM

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-6255517-B1 6-SULFONYLOXYISOPROPENYL-M-CRESOL AND ESTERS Zee, Ok Pyo (KR) 2001-07-03 US disclosed