SCHEMBL7953533

SCHEMBL7953533

Cc1ccc(C2(COC(=O)Cc3ccc(F)cc3)CO2)c(OC(=O)C(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.72
KMT2A Q03164 7/20 0.66
POLB P06746 1/20 0.66
APEX1 P27695 1/20 0.66
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
AGTR1 P30556 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 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
SCHEMBL7949843 0.91 NPSR1 (0.57) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949822 0.90 NPSR1 (0.74) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7953611 0.87 NPSR1 (0.67) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7948165 0.86 NPSR1 (0.51) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949803 0.84 NPSR1 (1.00) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7953610 0.83 NPSR1 (0.47) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7953635 0.81 NPSR1 (0.59) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949061 0.80 NPSR1 (0.56) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7951770 0.79 NPSR1 (0.44) 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