SCHEMBL28523010

SCHEMBL28523010

Cc1ccc(OCC(CO)(CO)CO)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C9 P11712 1/20 0.41
LMNA P02545 4/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
RBP4 P02753 2/20 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
SCHEMBL992037 0.84 TRPV1 (0.41) MEN1KMT2ALMNAPTGDR2MAPT
SCHEMBL8928289 0.80 TRPV1 (0.41) MEN1KMT2ALMNAPTGDR2MAPT
SCHEMBL9933418 0.80 TRPV1 (0.41) MEN1KMT2ALMNAPTGDR2MAPT
SCHEMBL6458781 0.80 TRPV1 (0.41) MEN1KMT2ALMNAPTGDR2MAPT
SCHEMBL15349624 0.79 USP2 (0.47) USP2MEN1KMT2ACYP2C9LMNA
SCHEMBL7947269 0.79 SMN1; SMN2 (0.33) USP2CYP2C9MRGPRX4ALDH1A1SMN1; SMN2
SCHEMBL2232697 0.78 SMN1; SMN2 (0.44) MEN1KMT2ACYP2C9LMNATP53
SCHEMBL16195513 0.78 ALDH1A1 (0.50) MEN1KMT2ALMNATP53MAPT
Phosphoric Acid SCHEMBL27934568 0.78 TRPV1 (0.42) MEN1KMT2ALMNAPTGDR2MAPT
SCHEMBL28017837 0.78 TRPV1 (0.40) MEN1KMT2ALMNAPTGDR2MAPT

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
CN-112236480-A Outer cover of LED light source 科思创知识产权两合公司 2021-01-15 CN disclosed