SCHEMBL5608308

SCHEMBL5608308

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.33
GLO1 Q04760 1/20 0.33

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
SCHEMBL5608170 0.98 POLB (0.41) POLBATMALDH1A1LMNAHSD17B10
SCHEMBL5608323 0.91 SMN1; SMN2 (0.46) POLBATMALDH1A1LMNAHSD17B10
SCHEMBL7634113 0.87 SMN1; SMN2 (0.46) POLBATMALDH1A1LMNAHSD17B10
SCHEMBL5608188 0.81 ALDH1A1 (0.43) POLBALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL24189316 0.80 POLB (0.43) POLBATMALDH1A1LMNAHSD17B10
SCHEMBL25831437 0.80 SMN1; SMN2 (0.55) POLBATMALDH1A1LMNAHSD17B10
SCHEMBL19357093 0.78 POLB (0.42) POLBATMALDH1A1LMNAHSD17B10
SCHEMBL20851018 0.78 POLB (0.42) POLBATMALDH1A1LMNAHSD17B10
SCHEMBL30396721 0.78 POLB (0.42) POLBATMALDH1A1LMNAHSD17B10
SCHEMBL23177042 0.78 POLB (0.42) POLBATMALDH1A1LMNAHSD17B10

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