SCHEMBL31030757

SCHEMBL31030757

COc1ccc(C2=NCC(C)O2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.42
MAPK1 P28482 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MIF P14174 2/20 0.41
CYP19A1 P11511 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2783537 0.79 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2
SCHEMBL13934519 0.79 MEN1 (0.45) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL2782902 0.76 ALDH1A1 (0.42) ALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL4465857 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL31048549 0.73 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1KDM4ENPC1
SCHEMBL9434758 0.72 DAPK3 (0.36) ALDH1A1HPGDMEN1KMT2A
SCHEMBL1338547 0.71 NISCH (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31030696 0.71 ALDH1A1 (0.44) PDE4AALDH1A1HPGDMAPK1PDE4B
SCHEMBL1338840 0.71 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL31158574 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; 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 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