SCHEMBL7645140

SCHEMBL7645140

CC(O)CC(C)O.CCCCC(O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DNM1 Q05193 2/20 0.36
FDPS P14324 1/20 0.36
KMT2A Q03164 2/20 0.36
OPRM1 P35372 1/20 0.35
CA2 P00918 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
CA1 P00915 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL8757858 0.86 TSHR (0.40) TSHRSPHK1ALDH1A1DNM1FDPS
SCHEMBL28616 0.86
SCHEMBL27964538 0.86 ALDH1A1 (0.46) TSHRSPHK1ALDH1A1DNM1FDPS
Propylene Glycol SCHEMBL29092837 0.84 TDP1 (0.53) TSHRSPHK1ALDH1A1DNM1FDPS
SCHEMBL27982467 0.83
Hydrochloric Acid SCHEMBL27300383 0.83
Methane SCHEMBL6010914 0.83
SCHEMBL30422249 0.83
SCHEMBL2679530 0.80 ALDH1A1 (0.42) SPHK1ALDH1A1DNM1FDPSCA2
SCHEMBL428260 0.79 GPR84 (0.40) TSHRSPHK1ALDH1A1DNM1FDPS

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
WO-2002051395-A1 TREATMENT OF NEURODEGENERATIVE DISEASES CODON PHARMACEUTICALS, INC. (US) 2002-07-04 WO disclosed