SCHEMBL588094

SCHEMBL588094

C=CC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O.[LiH].[LiH].[LiH]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SLC13A5 Q86YT5 2/20 0.33
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 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
SCHEMBL588095 1.00 ALDH1A1 (0.52) ALDH1A1SLC13A5KDM4ELMNAMAPT
SCHEMBL588612 0.98 ALDH1A1 (0.54) ALDH1A1SLC13A5KDM4ELMNAMAPT
SCHEMBL588331 0.97 ALDH1A1 (0.52) ALDH1A1SLC13A5KDM4ELMNAMAPT
SCHEMBL588330 0.97 ALDH1A1 (0.52) ALDH1A1SLC13A5KDM4ELMNAMAPT
Water SCHEMBL8392906 0.97 ALDH1A1 (0.52) ALDH1A1SLC13A5KDM4ELMNAMAPT
SCHEMBL588767 0.97 ALDH1A1 (0.52) ALDH1A1SLC13A5KDM4ELMNAMAPT
Ammonia Solution, Strong SCHEMBL589171 0.97 ALDH1A1 (0.52) ALDH1A1SLC13A5KDM4ELMNAMAPT
SCHEMBL588768 0.97 ALDH1A1 (0.52) ALDH1A1SLC13A5KDM4ELMNAMAPT
SCHEMBL4336193 0.84 ALDH1A1 (0.58) ALDH1A1SLC13A5KDM4ELMNAMAPT
SCHEMBL11515455 0.82 ALDH1A1 (0.56) ALDH1A1SLC13A5KDM4ELMNAMAPT

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
US-8114819-B2 Polymers for oilfield applications BAKER HUGHES INCORPORATED (US) 2012-02-14 US disclosed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US disclosed