SCHEMBL29104752

SCHEMBL29104752

CC(C)(C)NC(=O)OCCOCCOCCN

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
SERPINE1 P05121 1/20 0.30

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
SCHEMBL28656034 1.00 ACHE (0.32) ACHEALDH1A1TSHRTP53HIF1A
SCHEMBL31425438 1.00 ACHE (0.32) ACHEALDH1A1TSHRTP53HIF1A
SCHEMBL27972821 1.00 ACHE (0.32) ACHEALDH1A1TSHRTP53HIF1A
SCHEMBL2703359 0.88 ALDH1A1 (0.33) ACHEALDH1A1TSHR
Methane SCHEMBL27985713 0.86 ALDH1A1 (0.33) ACHEALDH1A1TSHR
Hydrochloric Acid SCHEMBL27716907 0.86 ALDH1A1 (0.33) ACHEALDH1A1TSHR
SCHEMBL2641404 0.84 EPHX1 (0.33) ACHE
SCHEMBL28512896 0.83 MEN1 (0.42) ACHEALDH1A1TSHRTP53HIF1A
SCHEMBL29308970 0.83 ABCB11 (0.36) ACHEALDH1A1TSHRTP53HIF1A
SCHEMBL1065814 0.83 MEN1 (0.42) ACHEALDH1A1TSHRTP53HIF1A

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-116806159-A Immunoconjugates comprising kallikrein-related peptidase 2 antigen binding domains and uses thereof 詹森生物科技公司 2023-09-26 CN disclosed