SCHEMBL2791986

SCHEMBL2791986

CCOC(=O)c1[nH]n(C)c(=O)c1CC(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
STAT1 P42224 1/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
NR4A1 P22736 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL756756 0.78 RAB9A (0.48) RAB9ANPC1KMT2AMAPTNPSR1
SCHEMBL9140175 0.67 ALDH1A1 (0.49) RAB9ANPC1KMT2APOLBALDH1A1
SCHEMBL6093084 0.67 RAB9A (0.49) RAB9ANPC1KMT2AMAPTNPSR1
SCHEMBL27358218 0.66 L3MBTL1 (0.52) RAB9ANPC1KMT2AMAPTPOLB
SCHEMBL17922058 0.66 ALDH1A1 (0.44) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL8720089 0.66 RAB9A (0.82) RAB9ANPC1KMT2AMAPTNPSR1
SCHEMBL11775315 0.65 ALDH1A1 (0.44) RAB9ANPC1KMT2AMAPTNPSR1
SCHEMBL8329550 0.65 L3MBTL1 (0.54) RAB9ANPC1KMT2AMAPTPOLB
SCHEMBL9532125 0.65 KMT2A (0.56) NPC1KMT2AMAPTPOLBALDH1A1
SCHEMBL754199 0.64 ALDH1A1 (0.42) RAB9ANPC1KMT2AMAPTNPSR1

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-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed