SCHEMBL16210771

SCHEMBL16210771

N[C@](O)(C(=O)c1ccccc1)[C@@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.39
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
SRC P12931 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 1/20 0.36
PDE4A P27815 1/20 0.35
PRKCA P17252 1/20 0.35
MAPT P10636 3/20 0.34
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL28821597 1.00 CES1 (0.39) CES1ALDH1A1USP2SLCO1B1SRC
SCHEMBL27518728 0.80 CES1 (0.33) CES1ALDH1A1SRCSMN1; SMN2PDE4A
SCHEMBL17599117 0.79 CES1 (0.43) CES1ALDH1A1SRCSMN1; SMN2HIF1A
SCHEMBL7718913 0.79 CES1 (0.36) CES1ALDH1A1USP2SLCO1B1SRC
SCHEMBL3195806 0.78 GSR (0.37) CES1ALDH1A1SRCPRKCALMNA
SCHEMBL16210858 0.77 NR4A1 (0.41) ALDH1A1HIF1AMAPTTSHRCYP3A4
SCHEMBL31038964 0.76 CES2 (0.39) CES1ALDH1A1USP2SLCO1B1SMN1; SMN2
SCHEMBL5866820 0.76 CES2 (0.36) CES1ALDH1A1USP2SLCO1B1SMN1; SMN2
SCHEMBL28395946 0.75 CES2 (0.38) CES1ALDH1A1SMN1; SMN2PDE4APRKCA
SCHEMBL5035200 0.75 CES2 (0.38) CES1ALDH1A1SMN1; SMN2PDE4APRKCA

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-20140329254-A1 BIOSENSOR USING REDOX CYCLING PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-11-06 US claimed
US-20140329254-A1 BIOSENSOR USING REDOX CYCLING PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-11-06 US disclosed