SCHEMBL9635618

SCHEMBL9635618

CC(O)COC(C)COC(C)CO.COC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
Citric Acid SCHEMBL1173327 0.92 ALDH1A1 (0.46) ALDH1A1MAPTTDP1KDM4ELMNA
Citric Acid SCHEMBL428255 0.92 ALDH1A1 (0.46) ALDH1A1MAPTTDP1KDM4ELMNA
Citric Acid SCHEMBL29173023 0.92 ALDH1A1 (0.46) ALDH1A1MAPTTDP1KDM4ELMNA
Citric Acid SCHEMBL428392 0.92 ALDH1A1 (0.46) ALDH1A1MAPTTDP1KDM4ELMNA
Citric Acid SCHEMBL424594 0.89 ALDH1A1 (0.48) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL9614600 0.85 TDP1 (0.34) ALDH1A1TDP1
SCHEMBL536460 0.84 ALDH1A1 (0.43) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL1173325 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ELMNAALOX15
Citric Acid SCHEMBL9155394 0.84 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ELMNAALOX15
SCHEMBL536523 0.82 ALDH1A1 (0.44) ALDH1A1MAPTTDP1KDM4ELMNA

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
US-5102926-A For use as placizers in molding materials of automobile panels OWENS-CORNING FIBERGLAS CORPORATION (US) 1992-04-07 US claimed