SCHEMBL14960669

SCHEMBL14960669

CC(=O)[C@H](O)[C@@H](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
LMNA P02545 4/20 0.46
MAPK1 P28482 1/20 0.46
ADRA2C P18825 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ADRA2A P08913 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP2D6 P10635 2/20 0.43
SRC P12931 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALOX5 P09917 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA1A P35348 1/20 0.41
RGS12 O14924 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL180160 0.84 LMNA (0.54) HPGDLMNAMAPK1ADRA2CKDM4E
SCHEMBL10024370 0.84 LMNA (0.54) HPGDLMNAMAPK1ADRA2CKDM4E
SCHEMBL7525226 0.84 LMNA (0.54) HPGDLMNAMAPK1ADRA2CKDM4E
Acetic Acid SCHEMBL8192834 0.82 ALOX5 (0.46) HPGDLMNAMAPK1ADRA2CKDM4E
SCHEMBL8178447 0.81 ALOX5 (0.48) HPGDLMNAMAPK1ADRA2CKDM4E
SCHEMBL25896589 0.80 LMNA (0.50) HPGDLMNAMAPK1ADRA2CKDM4E
SCHEMBL25896595 0.80 LMNA (0.50) HPGDLMNAMAPK1ADRA2CKDM4E
SCHEMBL107151 0.80 HPGD (0.48) HPGDLMNAMAPK1ADRA2CADRA2A
SCHEMBL4568744 0.80 CYP3A4 (0.49) HPGDLMNAMAPK1CYP2D6SRC
SCHEMBL15342224 0.80 CYP3A4 (0.49) HPGDLMNAMAPK1CYP2D6SRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206405-B2 Glycosyl hydrolase with beta-xylosidase and beta-glucosidase activities and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2015-12-08 US disclosed
US-20130130330-A1 NOVEL GLYCOSYL HYDROLASE WITH BETA-XYLOSIDASE AND BETA-GLUCOSIDASE ACTIVITIES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF ME SCIENCES (CN) 2013-05-23 US disclosed