SCHEMBL7941805

SCHEMBL7941805

CC(=O)Oc1cc(C)ccc1C1(COS(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 4/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
ATM Q13315 1/20 0.38
STAT3 P40763 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
APP P05067 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7953545 0.74 KMT2A (0.43) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7951730 0.72 NPSR1 (0.40) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949769 0.71 L3MBTL1 (0.51) NPSR1KMT2AATMALDH1A1GAA
SCHEMBL30777631 0.70 VDR (0.38) NPSR1KMT2ASTAT3CTDSP1SIRT5
SCHEMBL4157105 0.69 STAT3 (0.40) KMT2AAPEX1ATMSTAT3CTDSP1
SCHEMBL28173887 0.69 STAT3 (0.47) KMT2APOLBSTAT3CTDSP1SIRT5
SCHEMBL7948949 0.69 NPSR1 (0.71) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL18047923 0.68 SMN1; SMN2 (0.46) KMT2ASTAT3ALDH1A1GAACYP1A2
SCHEMBL16641783 0.67 KMT2A (0.49) KMT2ASTAT3ALDH1A1GAACYP1A2
SCHEMBL12900142 0.67 ALDH1A1 (0.45) NPSR1KMT2APOLBLMNAALDH1A1

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