SCHEMBL7074553

SCHEMBL7074553

Cc1ccc(O[C@@H](C)C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
PARP10 Q53GL7 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.44
MAPT P10636 2/20 0.44
NLRP1 Q9C000 1/20 0.44

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
SCHEMBL7074556 1.00 KMT2A (0.54) KMT2AMEN1PARP10ALDH1A1CYP1A2
SCHEMBL31147135 0.84 PARP10 (0.48) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL8613306 0.84 PARP10 (0.48) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL8613307 0.84 PARP10 (0.48) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL15652500 0.84 PARP10 (0.48) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL8612180 0.84 PARP10 (0.48) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL1117012 0.84 TAS1R3 (0.65) KMT2AMEN1PARP10ALDH1A1GAA
SCHEMBL4689279 0.82 POLB (0.62) KMT2AMEN1PARP10ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL31147134 0.82 PARP10 (0.47) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL6479499 0.82 ALDH1A1 (0.55) KMT2AMEN1PARP10ALDH1A1CYP1A2

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
WO-2003059356-A2 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-07-24 WO disclosed