SCHEMBL11033469

SCHEMBL11033469

CNC(=O)C(O)C(O)(O)c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KMT2A Q03164 5/20 0.36
PTPN1 P18031 3/20 0.36
POLB P06746 3/20 0.36
PTPN7 P35236 2/20 0.36
PKM P14618 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
BLM P54132 1/20 0.36
ESR2 Q92731 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 3/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29664634 0.67 ALOX5 (0.46) MAPTCES2CES1KMT2APTPN1
Bicarbonate SCHEMBL28968865 0.66 MAPT (0.49) MAPTCES2CES1KMT2APTPN1
SCHEMBL6312514 0.66 MAPT (0.41) MAPTCES2CES1KMT2AL3MBTL1
SCHEMBL12674134 0.66 KDM4E (0.40) MAPTKMT2ATAAR1MEN1ALDH1A1
SCHEMBL14899622 0.66 KMT2A (0.44) MAPTCES2CES1KMT2APTPN1
SCHEMBL11470675 0.65 MAPT (0.44) MAPTCES2CES1KMT2APOLB
SCHEMBL7629307 0.64
SCHEMBL13994295 0.64
SCHEMBL2075002 0.64 PTPN1 (0.42) MAPTCES2CES1KMT2APTPN1
SCHEMBL71754 0.64 MAPT (0.42) MAPTCES2CES1KMT2APTPN1

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-4503052-A OXACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1985-03-05 US disclosed