SCHEMBL28522994

SCHEMBL28522994

C=CCCCCCCCCC(=O)OC(=O)CC(C(=O)OC(=O)CCCCCCCCC=C)S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.40
ABCC4 O15439 1/20 0.40
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 2/20 0.36
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.33
HPGD P15428 1/20 0.33
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL4067200 0.99 ALDH1A1 (0.47) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL27706232 0.87 ALDH1A1 (0.40) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL5516336 0.83 ALDH1A1 (0.45) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL6270899 0.83 DGKA (0.49) LMNAMAPTUSP2RECQLLPAR2
SCHEMBL5275136 0.83 DGKA (0.49) LMNAMAPTUSP2RECQLLPAR2
SCHEMBL393940 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL27547997 0.81 DGKA (0.46) ALDH1A1LMNAMAPTRECQLTSHR
SCHEMBL27534701 0.81 DGKA (0.50) LMNAMAPTUSP2RECQLLPAR2
SCHEMBL9157173 0.80 DGKA (0.47) ALDH1A1LMNAMAPTRECQLTSHR
SCHEMBL28399581 0.80 DGKA (0.47) ALDH1A1LMNAMAPTRECQLTSHR

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-112424359-A Compositions and methods for treating parkinson's disease 沃雅戈治疗公司 2021-02-26 CN disclosed
CN-112313331-A Method for measuring efficacy of AADC viral vector 沃雅戈治疗公司 2021-02-02 CN disclosed