SCHEMBL8935700

SCHEMBL8935700

CC(C)c1ccccc1O[C@@H](C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
GAA P10253 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL8935695 1.00 KMT2A (0.66) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL8434636 0.85 KMT2A (0.47) KMT2ACYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL11587287 0.81 KMT2A (0.76) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL6449650 0.81 KMT2A (0.47) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL5861162 0.80 SMN1; SMN2 (0.46) KMT2ATSHRL3MBTL1MEN1LMNA
SCHEMBL10693344 0.79 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL8468151 0.79 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL8935823 0.79 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL5721832 0.79 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL12310141 0.79 KMT2A (0.68) KMT2AGAACYP1A2CYP2C9PKM

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-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed