SCHEMBL10812367

SCHEMBL10812367

CC(C)(CCC(=O)O)C(=O)OCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.49
NAPRT Q6XQN6 1/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
RIPK1 Q13546 1/20 0.43
NAMPT P43490 1/20 0.43
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 1/20 0.41

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
SCHEMBL3955156 0.83 LMNA (0.48) NAPRTLMNAKMT2ATDP1CYP17A1
SCHEMBL12934601 0.83 RIPK1 (0.57) NAPRTLMNAKMT2ATDP1CYP17A1
SCHEMBL3147948 0.82 KMT2A (0.51) NAPRTLMNAKMT2ATDP1CYP17A1
SCHEMBL10615037 0.77 TBXAS1 (0.56) TBXAS1NAPRTLMNAKMT2ATDP1
SCHEMBL4056937 0.77 CYP17A1 (0.43) NAPRTLMNAKMT2ATDP1CYP17A1
SCHEMBL4664410 0.76 CYP17A1 (0.46) NAPRTLMNAKMT2ATDP1CYP17A1
SCHEMBL4665006 0.76 CYP17A1 (0.46) NAPRTLMNAKMT2ATDP1CYP17A1
SCHEMBL4665010 0.76 CYP17A1 (0.46) NAPRTLMNAKMT2ATDP1CYP17A1
SCHEMBL28994931 0.75 TBXAS1 (0.61) TBXAS1NAPRTLMNAKMT2ATDP1
SCHEMBL4245629 0.75 KMT2A (0.61) TBXAS1NAPRTLMNAKMT2ATDP1

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
EP-0105919-B1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed