SCHEMBL27361335

SCHEMBL27361335

NC(=CCC(=O)O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
CPB1 P15086 1/20 0.35
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
HSD17B10 Q99714 1/20 0.30
ACHE P22303 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
SCHEMBL9803302 0.77 LMNA (0.45) ALOX15ALDH1A1CYP2D6KDM4ETSHR
SCHEMBL29105655 0.77 LMNA (0.45) ALOX15ALDH1A1CYP2D6KDM4ETSHR
SCHEMBL5323371 0.77
SCHEMBL9751768 0.75 CPB1 (0.46) ALOX15ALDH1A1CYP2D6LDHASRR
SCHEMBL11111003 0.75 LMNA (0.39) ALOX15ALDH1A1CYP2D6TSHRGLRA1
SCHEMBL9751771 0.75 CPB1 (0.46) ALOX15ALDH1A1CYP2D6LDHASRR
SCHEMBL28048731 0.75 ALDH1A1 (0.38) ALOX15ALDH1A1CYP2D6TSHR
SCHEMBL27325616 0.75
SCHEMBL24665772 0.72
SCHEMBL7641786 0.72 ALOX15 (0.45) ALOX15ALDH1A1CYP2D6LDHASRR

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-1058205-A The method for preparing pyridine and quinoline HOECHST CELANESE CORP (US) 1992-01-29 CN disclosed