SCHEMBL2848327

SCHEMBL2848327

CCC(CO)CC(CC)CO.CCCCC(CC)(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TRPA1 O75762 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA2 P00918 2/20 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
SCHEMBL251421 0.82 ALDH1A1 (0.38) ALDH1A1LMNATSHR
SCHEMBL21161 0.82 ALDH1A1 (0.38) ALDH1A1LMNATSHR
SCHEMBL7776271 0.80 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4TSHRCA2
SCHEMBL6568311 0.80 ALDH1A1 (0.36) ALDH1A1LMNATSHR
SCHEMBL28554930 0.80 ALDH1A1 (0.36) ALDH1A1LMNATSHR
Propylene Glycol SCHEMBL5749923 0.79 TDP1 (0.42) ALDH1A1LMNACYP3A4TSHRTDP1
SCHEMBL3626518 0.79 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TSHRTDP1
SCHEMBL28983801 0.79 TSHR (0.44) ALDH1A1LMNACYP3A4TSHR
SCHEMBL2349277 0.77 ALDH1A1 (0.38) ALDH1A1LMNATSHR
SCHEMBL2343833 0.77 ALDH1A1 (0.38) ALDH1A1LMNATSHR

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-2233311-A1 Fountain solution composition for lithographic printing and heat-set offset rotary printing process Fujifilm Corporation (JP) 2010-09-29 EP claimed