SCHEMBL5608170

SCHEMBL5608170

CCOC(=O)C12CC3(O)CC(O)(C1)CC(C(=O)OCC)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.39
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 3/20 0.33
GLO1 Q04760 1/20 0.32
TRPA1 O75762 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
SCHEMBL5608308 0.98 POLB (0.42) POLBATMALDH1A1SMN1; SMN2LMNA
SCHEMBL7634113 0.89 SMN1; SMN2 (0.46) POLBATMALDH1A1SMN1; SMN2LMNA
SCHEMBL5608323 0.89 SMN1; SMN2 (0.46) POLBATMALDH1A1SMN1; SMN2LMNA
SCHEMBL20851018 0.81 POLB (0.42) POLBATMALDH1A1SMN1; SMN2LMNA
SCHEMBL19357093 0.81 POLB (0.42) POLBATMALDH1A1SMN1; SMN2LMNA
SCHEMBL22640209 0.80 POLB (0.44) POLBATMALDH1A1SMN1; SMN2LMNA
SCHEMBL5608188 0.80 ALDH1A1 (0.43) POLBALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL5608088 0.80 NPSR1 (0.45) POLBALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL20851087 0.79 PKM (0.45) POLBATMALDH1A1SMN1; SMN2LMNA
SCHEMBL20851071 0.79 POLB (0.41) POLBATMALDH1A1SMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP disclosed