SCHEMBL6442016

SCHEMBL6442016

O=C1CC(O)CN1.O=C1CC(O)CN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.43
DPP4 P27487 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL31190825 0.87 HPGD (0.64) HPGDTSHRALDH1A1DPP4SMN1; SMN2
SCHEMBL4925533 0.87 HPGD (0.64) HPGDTSHRALDH1A1DPP4SMN1; SMN2
SCHEMBL4922166 0.87 HPGD (0.64) HPGDTSHRALDH1A1DPP4SMN1; SMN2
SCHEMBL4922178 0.87 HPGD (0.64) HPGDTSHRALDH1A1DPP4SMN1; SMN2
SCHEMBL6162246 0.82 HPGD (0.57) HPGDTSHRALDH1A1DPP4SMN1; SMN2
SCHEMBL6162353 0.82 HPGD (0.57) HPGDTSHRALDH1A1DPP4SMN1; SMN2
SCHEMBL6438945 0.76 NPC1 (0.46) HPGDSMN1; SMN2NPC1GLARAB9A
SCHEMBL6159065 0.76 HPGD (0.50) HPGDTSHRDPP4SMN1; SMN2HTT
SCHEMBL6161961 0.76 HPGD (0.50) HPGDTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL6158312 0.76 HPGD (0.50) HPGDTSHRALDH1A1DPP4SMN1; SMN2

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-1325146-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 4-HYDROXY-2-PYRROLIDINONE AND N-SUBSTITUTED 4-HYDROXY-2-PYRROLIDINONES BY ENZYMATIC HYDROXYLATION EIDGENOESSICHE TECH HOCHSCHULE (CH) 2005-12-14 EP claimed