SCHEMBL30740923

SCHEMBL30740923

CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)[nH]c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.53
CDC7 O00311 1/20 0.50
AR P10275 3/20 0.49
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.42
PRKCZ Q05513 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPBWR1 P48145 1/20 0.41
NPC1 O15118 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 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
SCHEMBL30741033 0.88 GCGR (0.56) GCGRCDC7ARMAPTSMN1; SMN2
SCHEMBL30741042 0.87 GCGR (0.55) GCGRCDC7ARMAPTSMN1; SMN2
SCHEMBL30741046 0.86 GCGR (0.54) GCGRCDC7ARMAPTSMN1; SMN2
SCHEMBL30740926 0.85 GCGR (0.58) GCGRCDC7MAPTSMN1; SMN2GAA
SCHEMBL30741040 0.84 CDC7 (0.53) GCGRCDC7ARMAPTSMN1; SMN2
SCHEMBL16043087 0.82 AR (0.60) GCGRCDC7ARMAPTSMN1; SMN2
SCHEMBL7977722 0.80 NPBWR1 (0.53) ARMAPTGAARAB9APRKCZ
SCHEMBL4487401 0.80 MAPT (0.58) GCGRCDC7ARMAPTSMN1; SMN2
SCHEMBL29158848 0.79 GCGR (0.65) GCGRCDC7MAPTMEN1KMT2A
SCHEMBL29159057 0.78 ALDH1A1 (0.43) ARMAPTSMN1; SMN2GAARAB9A

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
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed