SCHEMBL31190825

SCHEMBL31190825

O=C1CC(O)CN1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
DPP4 P27487 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL4925533 1.00 HPGD (0.64) HPGDTSHRDPP4SMN1; SMN2ALDH1A1
SCHEMBL4922166 1.00 HPGD (0.64) HPGDTSHRDPP4SMN1; SMN2ALDH1A1
SCHEMBL4922178 1.00 HPGD (0.64) HPGDTSHRDPP4SMN1; SMN2ALDH1A1
SCHEMBL6162353 0.94 HPGD (0.57) HPGDTSHRDPP4SMN1; SMN2ALDH1A1
SCHEMBL6162246 0.94 HPGD (0.57) HPGDTSHRDPP4SMN1; SMN2ALDH1A1
SCHEMBL6442016 0.87 HPGD (0.51) HPGDTSHRDPP4SMN1; SMN2ALDH1A1
SCHEMBL6159065 0.87 HPGD (0.50) HPGDTSHRDPP4SMN1; SMN2HTT
SCHEMBL6161961 0.87 HPGD (0.50) HPGDTSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL6158312 0.87 HPGD (0.50) HPGDTSHRDPP4SMN1; SMN2ALDH1A1
SCHEMBL6157539 0.87 HPGD (0.50) HPGDTSHRDPP4SMN1; SMN2HTT

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
WO-2024220747-A2 FLUORINATED CYCLIC DERIVATIVES OF SULFONAMIDES AND SULFONES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2024-10-24 WO disclosed