SCHEMBL7953635

SCHEMBL7953635

CC(=O)Oc1cc(C)ccc1C1(COC(=O)Cc2ccccc2)CO1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
PAM P19021 1/20 0.37
MGLL Q99685 2/20 0.36
PTPN1 P18031 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7949822 0.91 NPSR1 (0.74) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949843 0.89 NPSR1 (0.57) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7951729 0.89 NPSR1 (0.48) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949061 0.89 NPSR1 (0.56) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7948105 0.86 NPSR1 (0.53) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7953545 0.86 KMT2A (0.43) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7948949 0.85 NPSR1 (0.71) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7951721 0.83 ALDH1A1 (0.44) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7949882 0.81 NPSR1 (0.88) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL7953533 0.81 NPSR1 (0.72) 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