SCHEMBL29949023

SCHEMBL29949023

CC(=O)O[C@@H]1C=C[C@H](OCCCCCOc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)O[C@H]1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.56
ALDH2 P05091 2/20 0.50
BCHE P06276 3/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL16459744 0.81 ACHE (0.70) ACHEALDH2BCHEMEN1NPC1
SCHEMBL16473745 0.78 ACHE (0.77) ACHEALDH2BCHEMEN1NPC1
SCHEMBL16458944 0.75 ACHE (0.73) ACHEALDH2BCHEMEN1NPC1
SCHEMBL16458925 0.75 ALDH2 (0.73) ACHEALDH2BCHEMEN1NPC1
SCHEMBL12500900 0.73 ACHE (1.00) ACHEBCHE
7-Acetoxy-4',5-Dihydroxygenistein SCHEMBL10001910 0.72 ALDH2 (0.75) ACHEALDH2MEN1NPC1TP53
SCHEMBL14107144 0.72 ALDH2 (0.75) ACHEALDH2MEN1NPC1TP53
SCHEMBL16473741 0.71 NPC1 (0.50) ACHEALDH2MEN1NPC1TP53
SCHEMBL13911065 0.70 ACHE (0.69) ACHEALDH2BCHEMEN1NPC1
SCHEMBL31595515 0.70 ALDH2 (0.76) ACHEALDH2MEN1NPC1TP53

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
US-20250288672-A1 HUMANIZED SYNTHETIC NOTCH RECEPTORS WITH AUGMENTED TRANSACTIVATION DOMAINS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-09-18 US disclosed
WO-2022204326-A1 HUMANIZED SYNTHETIC NOTCH RECEPTORS WITH AUGMENTED TRANSACTIVATION DOMAINS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-09-29 WO disclosed