SCHEMBL21055890

SCHEMBL21055890

CCC(C(=O)O)C(O)(CC)C(=O)O.CCC(C)(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TET2 Q6N021 1/20 0.33
CPT2 P23786 1/20 0.33
ACLY P53396 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL315984 0.90 HSPD1 (0.44) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL891403 0.90 HSPD1 (0.44) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL10439610 0.81 HSPD1 (0.46) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL2327762 0.77
SCHEMBL4963143 0.77 TSHR (0.50) MEN1KMT2ATET2ALDH1A1TSHR
SCHEMBL581582 0.77
SCHEMBL79613 0.77
SCHEMBL6755733 0.75
SCHEMBL5159386 0.75
SCHEMBL28436750 0.75 TSHR (0.47) MEN1KMT2ATET2ALDH1A1TSHR

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-2935532-B1 BIOFUELS PRODUCTION FROM BIO-DERIVED CARBOXYLIC-ACID ESTERS ARCHER DANIELS MIDLAND CO (US) 2019-06-19 EP disclosed