SCHEMBL22562932

SCHEMBL22562932

CC(C)(C)CC(C)(C(=O)OCCN1CCCC1=O)C(C)(C)C(C)(C)CC(C)(C(=O)OCC1CO1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL22562930 0.84 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19146437 0.84 KMT2A (0.41) ALDH1A1SMN1; SMN2POLBKMT2ATSHR
SCHEMBL26290726 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL20259339 0.76 TSHR (0.33) ALDH1A1SMN1; SMN2POLBKMT2ATSHR
SCHEMBL10197309 0.74 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL20243601 0.72
SCHEMBL18870115 0.71 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBKMT2ATSHR
SCHEMBL20648739 0.70 KMT2A (0.44) ALDH1A1SMN1; SMN2POLBKMT2ATSHR
SCHEMBL18457392 0.70 POLB (0.48) ALDH1A1SMN1; SMN2POLBKMT2ATSHR
SCHEMBL19762328 0.67 TSHR (0.43) ALDH1A1SMN1; SMN2POLBKMT2ATSHR

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-3377546-B1 PROCESS FOR THE PREPARATION OF HYDROXYETHYLPYRROLIDONE METHACRYLATE/GLYCIDYL METHACRYLATE COPOLYMERS ISP INVESTMENTS LLC (US) 2020-10-21 EP disclosed