SCHEMBL29679671

SCHEMBL29679671

CC(=O)c1ccccc1Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.67
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
RAB9A P51151 1/20 0.55
TSPO P30536 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
TSHR P16473 3/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL3179214 1.00 CTNNB1 (0.67) CTNNB1MEN1KMT2ARAB9ATSPO
Hydrochloric Acid SCHEMBL8136102 0.98 CTNNB1 (0.65) CTNNB1MEN1KMT2ARAB9ATSPO
SCHEMBL9638920 0.94 CTNNB1 (0.58) CTNNB1MEN1KMT2ARAB9ATSPO
SCHEMBL5708950 0.87 LMNA (0.60) CTNNB1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL11604077 0.87 CTNNB1 (0.51) CTNNB1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL19524204 0.87 SCN8A (0.53) CTNNB1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4743129 0.87 MAPT (0.62) CTNNB1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL2303571 0.85 MAPT (0.60) CTNNB1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL7755868 0.85 LMNA (0.51) CTNNB1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6857330 0.85 CTNNB1 (0.54) CTNNB1MEN1KMT2ARAB9ATSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947636-A Preparation method of 2-acyl-4-oxo-butyrate derivative 华侨大学 2023-10-27 CN claimed
CN-116947636-A Preparation method of 2-acyl-4-oxo-butyrate derivative 华侨大学 2023-10-27 CN disclosed
CN-111905805-B Eutectic solvent, carbon quantum dot, preparation method and application 河北科技大学 2022-11-11 CN disclosed
CN-109790148-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-06-07 CN disclosed