SCHEMBL7985207

SCHEMBL7985207

CCCC(=O)OC[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](O)CO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.43
PRKCE Q02156 2/20 0.43
PRKCQ Q04759 2/20 0.43
PRKCD Q05655 2/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HAT1 O14929 1/20 0.37
HTT P42858 1/20 0.37
RBBP7 Q16576 1/20 0.37
MAPT P10636 1/20 0.37
DGKA P23743 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FAAH O00519 2/20 0.35

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
SCHEMBL4903929 0.95 PRKCA (0.44) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL16500321 0.89 PRKCA (0.46) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL2881252 0.89 ALDH1A1 (0.47) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL2814667 0.89 ALDH1A1 (0.47) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL29169775 0.89 PRKCA (0.59) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL4903933 0.86 PRKCA (0.46) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL4914069 0.85 ALDH1A1 (0.47) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL27878028 0.82 PRKCA (0.65) PRKCAPRKCEPRKCQPRKCDMEN1
Galactitol SCHEMBL23924274 0.82 PRKCA (0.58) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL6810153 0.80 MAPT (0.41) PRKCAPRKCEPRKCQPRKCDLMNA

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-6225325-B1 ADMINISTERING N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL OR GALACTITOL FOR PROPHYLAXIS, THERAPY, REDUCING, OR REVERSING MULTIDRUG RESISTANCE IN PATIENT UNDERGOING THERAPY WITH CHEMOTHERAPEUTIC AGENT G.D. SEARLE & COMPANY 2001-05-01 US disclosed