SCHEMBL28528975

SCHEMBL28528975

CC(C)NC(C(=O)O)C(C)(C)S

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
PTGS1 P23219 1/20 0.43
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL31094181 1.00 ALDH1A1 (0.43) ALDH1A1MAPTPTGS1TP53TDP1
SCHEMBL31362245 0.84 ALDH1A1 (0.41) ALDH1A1MAPTPTGS1TP53
SCHEMBL20932435 0.84 ALDH1A1 (0.41) ALDH1A1MAPTPTGS1TP53
SCHEMBL24312140 0.82 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1TDP1
SCHEMBL21216244 0.82 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1TDP1
SCHEMBL15592774 0.81 CA2 (0.35) ALDH1A1MAPTPTGS1TP53TDP1
SCHEMBL25453253 0.81 CA2 (0.35) ALDH1A1MAPTPTGS1TP53TDP1
SCHEMBL14011640 0.81 CA2 (0.35) ALDH1A1MAPTPTGS1TP53TDP1
SCHEMBL20154151 0.80 ALDH1A1 (0.32) ALDH1A1MAPTPTGS1
SCHEMBL23513614 0.79 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500323-B Preparation method of L-penicillamine 成都大学 2022-08-19 CN claimed
CN-112500323-A Preparation method of L-penicillamine 成都大学 2021-03-16 CN claimed
CN-112500323-B Preparation method of L-penicillamine 成都大学 2022-08-19 CN disclosed
CN-112500323-B Preparation method of L-penicillamine 成都大学 2022-08-19 CN disclosed
CN-112500323-A Preparation method of L-penicillamine 成都大学 2021-03-16 CN disclosed
CN-112500323-A Preparation method of L-penicillamine 成都大学 2021-03-16 CN disclosed