SCHEMBL7948949

SCHEMBL7948949

CC(=O)OCC1(c2ccc(C)cc2OC(C)=O)CO1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.71
POLB P06746 1/20 0.64
APEX1 P27695 1/20 0.64
KMT2A Q03164 1/20 0.64
ATM Q13315 1/20 0.64
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MAOB P27338 3/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRKCA P17252 1/20 0.33
ACHE P22303 2/20 0.33
PTPN1 P18031 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
SCHEMBL7949882 0.90 NPSR1 (0.88) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7951783 0.86 NPSR1 (0.57) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7953635 0.85 NPSR1 (0.59) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7949803 0.83 NPSR1 (1.00) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7949843 0.83 NPSR1 (0.57) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7949061 0.82 NPSR1 (0.56) NPSR1POLBAPEX1KMT2AATM
Acetic Acid SCHEMBL7948951 0.81 NPSR1 (0.54) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7948105 0.80 NPSR1 (0.53) NPSR1POLBAPEX1KMT2AATM
SCHEMBL7949822 0.75 NPSR1 (0.74) NPSR1POLBAPEX1KMT2AATM
Fluorobenzene SCHEMBL7949846 0.74 NPSR1 (0.47) NPSR1POLBAPEX1KMT2AATM

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