SCHEMBL29132413

SCHEMBL29132413

CC(C)(C)c1cc(C=Nc2ccc(O)cc2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.51
PTGS2 P35354 4/20 0.51
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 2/20 0.42
S100B P04271 2/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 2/20 0.41
BLM P54132 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HPGD P15428 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
SCHEMBL6364302 0.90 ALOX5 (0.60) ALOX5PTGS2LMNASMN1; SMN2MEN1
SCHEMBL114843 0.90 ALOX5 (0.60) ALOX5PTGS2LMNASMN1; SMN2MEN1
SCHEMBL18489512 0.88 MEN1 (0.50) ALOX5PTGS2LMNASMN1; SMN2MEN1
SCHEMBL18489588 0.88 ALOX5 (0.49) ALOX5PTGS2LMNASMN1; SMN2MEN1
SCHEMBL14539279 0.88 ALOX5 (0.49) ALOX5PTGS2LMNASMN1; SMN2MEN1
SCHEMBL23644510 0.88 ALOX5 (0.49) ALOX5PTGS2LMNASMN1; SMN2MEN1
SCHEMBL18489510 0.88 MEN1 (0.50) ALOX5PTGS2LMNASMN1; SMN2MEN1
SCHEMBL27242757 0.87 S100B (0.49) ALOX5PTGS2ALDH1A1S100BMAPT
SCHEMBL27242774 0.87 S100B (0.49) ALOX5PTGS2ALDH1A1S100BMAPT
Acetic Acid SCHEMBL1229795 0.86 ALOX5 (0.53) ALOX5PTGS2LMNASMN1; SMN2MEN1

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-115819644-B Supported catalyst and preparation method and application thereof 中国科学技术大学 2024-01-09 CN disclosed
CN-115819644-A Supported catalyst and preparation method and application thereof 中国科学技术大学 2023-03-21 CN disclosed