SCHEMBL31030696

SCHEMBL31030696

COc1ccc(C2=NC(O)C(C)O2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
HPGD P15428 2/20 0.44
PDE4A P27815 3/20 0.44
MIF P14174 2/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
FPR2 P25090 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL31030795 0.72 DRD2 (0.46) HPGDKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL31030757 0.71 PDE4A (0.45) ALDH1A1MAPK1HPGDPDE4AMIF
SCHEMBL8840880 0.68 PDE4A (0.67) ALDH1A1MAPK1HPGDPDE4ANPC1
SCHEMBL7616076 0.65 ALDH1A1 (0.58) ALDH1A1MAPK1HPGDPDE4ANPC1
SCHEMBL8425663 0.64 ALDH1A1 (0.42) ALDH1A1MAPK1HPGDPDE4ANPC1
SCHEMBL16867639 0.63 PDE4A (0.45) ALDH1A1MAPK1HPGDPDE4ANPC1
SCHEMBL17144996 0.63 KDM4E (0.65) ALDH1A1MAPK1HPGDPDE4ANPC1
SCHEMBL12964716 0.63 KDM4E (0.83) ALDH1A1MAPK1HPGDPDE4ANPC1
SCHEMBL30850515 0.62 PDE4A (0.55) ALDH1A1MAPK1HPGDPDE4ANPC1
SCHEMBL493444 0.62 PDE4A (0.55) ALDH1A1MAPK1HPGDPDE4ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118653158-A Synthesis and application of 4-oxo-oxazoline compound 西北师范大学 2024-09-17 CN claimed
CN-118653158-A Synthesis and application of 4-oxo-oxazoline compound 西北师范大学 2024-09-17 CN disclosed