SCHEMBL27464800

SCHEMBL27464800

NC(=O)C(C(O)(O)O)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.50
CPT2 P23786 1/20 0.50
ALDH1A1 P00352 1/20 0.39
HSPD1 P10809 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5473948 0.77 ACLY (0.69) ACLYCPT2ALDH1A1HSPD1BLM
SCHEMBL6473096 0.72 CPT2 (0.43) ACLYCPT2ALDH1A1HSPD1BLM
SCHEMBL9485457 0.71 ACLY (0.55) ACLYCPT2ALDH1A1HSPD1BLM
SCHEMBL27479007 0.71 HSPD1 (0.58) ACLYCPT2ALDH1A1HSPD1BLM
SCHEMBL6270504 0.70 ACLY (0.59) ACLYCPT2ALDH1A1HSPD1BLM
SCHEMBL59972 0.69 ACLY (0.58) ACLYCPT2ALDH1A1HSPD1BLM
SCHEMBL1409965 0.69 ACLY (0.58) ACLYCPT2ALDH1A1HSPD1BLM
SCHEMBL1462468 0.69 ACLY (0.58) ACLYCPT2ALDH1A1HSPD1BLM
SCHEMBL2190166 0.69 ACLY (0.64) ACLYCPT2ALDH1A1HSPD1BLM
SCHEMBL14748309 0.68 ACLY (0.52) ACLYCPT2ALDH1A1HSPD1BLM

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
CN-1140730-A Halogen-containing polymers provided with antistatic agent CIBA GEIGY AG (CH) 1997-01-22 CN disclosed