SCHEMBL28338693

SCHEMBL28338693

NC(=O)CC(=S)CCC(O)CO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 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
SCHEMBL15155212 0.80
SCHEMBL28023797 0.80
SCHEMBL18642425 0.75
SCHEMBL21634967 0.73 THRB (0.43) THRBALDH1A1LMNAALOX15BLM
SCHEMBL20502485 0.68 THRB (0.39) THRBKMT2A
SCHEMBL23927578 0.67
SCHEMBL1852718 0.67
SCHEMBL326464 0.67
SCHEMBL8655218 0.67
Water SCHEMBL6694857 0.66 TET2 (0.50) THRBALDH1A1LMNA

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-110545851-A Carbohydrate polymers sequestering carbohydrate binding proteins POLYNEURON PHARMACEUTICALS AG 2019-12-06 CN disclosed