SCHEMBL3267186

SCHEMBL3267186

CCC(O)(CC)C(=O)O.c1cc2ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 5/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RARB P10826 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL283370 0.84
SCHEMBL28287867 0.82 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL28719235 0.74 MEN1 (0.52) ALDH1A1KMT2ACYP2C9SMN1; SMN2MAPT
SCHEMBL7908936 0.74 SMN1; SMN2 (0.52) SLC13A5ALDH1A1KMT2ALMNAHTT
SCHEMBL687447 0.74 SMN1; SMN2 (0.52) SLC13A5ALDH1A1KMT2ALMNAHTT
SCHEMBL7908766 0.74 SMN1; SMN2 (0.52) SLC13A5ALDH1A1KMT2ALMNAHTT
SCHEMBL10519353 0.74 CYP2C9 (0.50) ALDH1A1KMT2AHTTCYP2C9SMN1; SMN2
SCHEMBL9082116 0.73 TET2 (0.41) SLC13A5ALDH1A1KMT2ALMNAHTT
SCHEMBL10537224 0.72
SCHEMBL6630544 0.72

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
EP-1685248-B1 OXIDOREDUCTASE FROM METSCHNIKOWIA ZOBELLII IEP GMBH (DE) 2010-06-09 EP claimed