SCHEMBL11214027

SCHEMBL11214027

[NH]C(=O)C(O)c1ccccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
ERN1 O75460 3/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SRC P12931 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 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
SCHEMBL15376731 0.82 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL400210 0.81 LMNA (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL400209 0.81 LMNA (0.44) LMNAKMT2AMEN1THRBBLM
Hydrochloric Acid SCHEMBL27801537 0.81 LMNA (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL4896893 0.77 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL11521500 0.77 BACE1 (0.33) KMT2AMEN1TDP1TRIM24TRIM33
SCHEMBL11216599 0.75 ERN1 (0.49) TDP1TSHRERN1
SCHEMBL11073299 0.74 GABRA1 (0.46) LMNAKMT2ABLMTDP1ALDH1A1
SCHEMBL4093324 0.74 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL13428746 0.74 LMNA (0.50) LMNAKMT2AMEN1THRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4072674-A FOR CEPHALOSPORIN CONGENERS SMITHKLINE CORPORATION (US) 1978-02-07 US claimed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed