SCHEMBL15214440

SCHEMBL15214440

COC(=O)COc1ccc(CC(NC(=O)CO)C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HDAC8 Q9BY41 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL313537 0.89 MEN1 (0.58) GLAADRB2ADRB1ADRB3MEN1
SCHEMBL14547360 0.88 ITGB3 (0.48) ALDH1A1LMNAPPARGITGB3ITGA2B
SCHEMBL315157 0.88 MEN1 (0.51) GLAADRB2ADRB1ADRB3MEN1
SCHEMBL2619544 0.84 PPARG (0.44) MEN1KMT2AALDH1A1LMNAHDAC8
SCHEMBL10046589 0.82 PTPN1 (0.43) KMT2APPARGITGB3ITGA2BMMP1
SCHEMBL1862350 0.79 MEN1 (0.61) MEN1KMT2AALDH1A1LMNAHDAC1
SCHEMBL12534524 0.78 ALDH1A1 (0.47) GLAADRB2ADRB1ADRB3MEN1
SCHEMBL10046588 0.77 PPARG (0.39) MEN1KMT2AALDH1A1LMNAPPARG
SCHEMBL23280995 0.77 ITGB3 (0.52) MEN1KMT2AALDH1A1LMNAPPARG
SCHEMBL1858694 0.77 ALDH1A1 (0.56) MEN1KMT2AALDH1A1LMNAHDAC8

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-8664426-B2 Functionalized amino acids and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-03-04 US disclosed
US-8519175-B2 Functionalized amino acids and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-08-27 US disclosed