SCHEMBL23656146

SCHEMBL23656146

CCc1cc(CO)cc(CN(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
GSR P00390 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HRH3 Q9Y5N1 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1876155 0.91 ALDH1A1 (0.48) ALDH1A1TSHRGAALMNAGSR
SCHEMBL14228540 0.89 ALDH1A1 (0.46) ALDH1A1TSHRGAALMNAGSR
SCHEMBL608438 0.83 ACHE (0.48) ALDH1A1TSHRMAPTKDM4EACHE
SCHEMBL8231933 0.83 ACHE (0.48) ALDH1A1TSHRMAPTKDM4EACHE
SCHEMBL6122351 0.81 CYP4F2 (0.44) ALDH1A1TSHRGAALMNAGSR
SCHEMBL6121987 0.81 ALDH1A1 (0.41) ALDH1A1TSHRGAALMNAGSR
SCHEMBL23794324 0.81 ALDH1A1 (0.41) ALDH1A1TSHRGAALMNAGSR
SCHEMBL9928604 0.78 ALDH1A1 (0.38) ALDH1A1TSHRGAALMNAGSR
SCHEMBL2528801 0.78 ALDH1A1 (0.55) ALDH1A1TSHRGAALMNAGSR
SCHEMBL23656263 0.78 LMNA (0.39) ALDH1A1TSHRGAALMNAGSR

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-3608308-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2021-07-21 EP disclosed