SCHEMBL7949843

SCHEMBL7949843

CC(=O)Oc1cc(C)ccc1C1(COC(=O)Cc2ccc(F)cc2)CO1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 7/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
AGTR1 P30556 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 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
SCHEMBL7953533 0.91 NPSR1 (0.72) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7953610 0.90 NPSR1 (0.47) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7953635 0.89 NPSR1 (0.59) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949061 0.89 NPSR1 (0.56) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7953578 0.87 ALDH1A1 (0.40) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7951730 0.86 NPSR1 (0.40) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7948105 0.86 NPSR1 (0.53) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7948949 0.83 NPSR1 (0.71) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949822 0.80 NPSR1 (0.74) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949882 0.79 NPSR1 (0.88) NPSR1KMT2APOLBAPEX1ATM

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