SCHEMBL7953545

SCHEMBL7953545

CC(=O)Oc1cc(C)ccc1C1(COC(=O)Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
ATM Q13315 1/20 0.39
PAM P19021 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTPN1 P18031 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTGS2 P35354 1/20 0.35
ALOX5 P09917 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
SCHEMBL7951730 0.89 NPSR1 (0.40) KMT2ANPSR1L3MBTL1ALDH1A1POLB
SCHEMBL7949206 0.89 NPSR1 (0.53) KMT2ANPSR1L3MBTL1ALDH1A1MAPK1
SCHEMBL7949769 0.88 L3MBTL1 (0.51) KMT2ANPSR1L3MBTL1ALDH1A1ATM
SCHEMBL7953635 0.86 NPSR1 (0.59) KMT2ANPSR1L3MBTL1ALDH1A1MAPK1
SCHEMBL7948165 0.79 NPSR1 (0.51) KMT2ANPSR1L3MBTL1ALDH1A1POLB
SCHEMBL7949822 0.77 NPSR1 (0.74) KMT2ANPSR1L3MBTL1ALDH1A1MAPK1
SCHEMBL7941788 0.76 NPSR1 (0.48) KMT2ANPSR1ALDH1A1POLBAPEX1
SCHEMBL7949843 0.75 NPSR1 (0.57) KMT2ANPSR1L3MBTL1ALDH1A1POLB
SCHEMBL7951729 0.75 NPSR1 (0.48) KMT2ANPSR1L3MBTL1ALDH1A1MAPK1
SCHEMBL7949061 0.74 NPSR1 (0.56) KMT2ANPSR1L3MBTL1ALDH1A1POLB

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