SCHEMBL8038682

SCHEMBL8038682

CCOC(=O)C1(C(=O)OCC)CC(C(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33
ALOX15 P16050 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8050020 0.91 SMN1; SMN2 (0.33) POLBALDH1A1L3MBTL1LMNAATM
SCHEMBL8038642 0.90 ALOX15 (0.36) POLBALDH1A1L3MBTL1LMNAATM
SCHEMBL11938481 0.78 ALDH1A1 (0.39) POLBALDH1A1LMNAHSD17B10ATM
SCHEMBL1962459 0.78 ALDH1A1 (0.39) POLBALDH1A1LMNAHSD17B10ATM
SCHEMBL12030067 0.78 ALDH1A1 (0.39) POLBALDH1A1LMNAHSD17B10ATM
SCHEMBL1964683 0.78 ALDH1A1 (0.39) POLBALDH1A1LMNAHSD17B10ATM
SCHEMBL34461866 0.76 ALOX15 (0.39) POLBALDH1A1LMNAHSD17B10ATM
SCHEMBL10485886 0.76 ALDH1A1 (0.37) POLBALDH1A1LMNAHSD17B10ATM
SCHEMBL11540510 0.76 ALDH1A1 (0.37) POLBALDH1A1LMNAHSD17B10ATM
SCHEMBL4445787 0.74 PPM1B (0.43) POLBALDH1A1LMNAHSD17B10ATM

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-6080750-A FOR PROPHYLAXIS AND TREATMENT OF DISEASES CAUSED BY INFECTION BY ROTAVIRUS NIPPON SHOJI KAISHA LTD. (JP) 2000-06-27 US disclosed
EP-0806418-A2 Novel pyrimidine compound and anti-rotavirus agent NIPPON SHOJI KAISHA, LIMITED (JP) 1997-11-12 EP disclosed