SCHEMBL28772435

SCHEMBL28772435

CCCC(=O)OC(=O)[C@@H](N)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
SLC7A5 Q01650 1/20 0.38
ALOX15 P16050 1/20 0.36
MAPT P10636 1/20 0.34
LMNA P02545 3/20 0.33
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
CYP1A2 P05177 1/20 0.31
CTSD P07339 1/20 0.31
SLC15A1 P46059 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL3285174 1.00 ALDH1A1 (0.54) ALDH1A1SLC7A5ALOX15MAPTLMNA
SCHEMBL15658562 0.90 SLC7A5 (0.42) ALDH1A1SLC7A5MAPTLMNADPP4
SCHEMBL542262 0.90 SLC7A5 (0.42) ALDH1A1SLC7A5MAPTLMNADPP4
SCHEMBL10440655 0.86 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTLMNACES2
SCHEMBL15649494 0.85 LMNA (0.53) ALDH1A1MAPTLMNANAAADGKA
SCHEMBL14359610 0.85 LMNA (0.53) ALDH1A1MAPTLMNANAAADGKA
SCHEMBL9666958 0.85 LMNA (0.53) ALDH1A1MAPTLMNANAAADGKA
SCHEMBL15649495 0.85 LMNA (0.53) ALDH1A1MAPTLMNANAAADGKA
SCHEMBL2636224 0.85 LMNA (0.53) ALDH1A1MAPTLMNANAAADGKA
SCHEMBL27887970 0.85 LMNA (0.53) ALDH1A1MAPTLMNANAAADGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115666527-A Modified release compositions of gamma-hydroxybutyric acid derivatives 凯瑞康宁生物工程有限公司 2023-01-31 CN claimed
CN-114558061-A Loquat leaf extract and preparation method and application thereof 浙江大学 2022-05-31 CN claimed
CN-115666527-A Modified release compositions of gamma-hydroxybutyric acid derivatives 凯瑞康宁生物工程有限公司 2023-01-31 CN disclosed