SCHEMBL5608323

SCHEMBL5608323

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.37
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
LMNA P02545 1/20 0.31
BRD4 O60885 1/20 0.31
ALOX15 P16050 2/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL7634113 0.96 SMN1; SMN2 (0.46) SMN1; SMN2POLBPKMATMHSD17B10
SCHEMBL5608308 0.91 POLB (0.42) SMN1; SMN2POLBATMHSD17B10OPRM1
SCHEMBL5608170 0.89 POLB (0.41) SMN1; SMN2POLBATMHSD17B10OPRM1
SCHEMBL25831437 0.89 SMN1; SMN2 (0.55) SMN1; SMN2POLBPKMATMHSD17B10
SCHEMBL11102433 0.85 SMN1; SMN2 (0.56) SMN1; SMN2POLBPKMATMHSD17B10
SCHEMBL5608040 0.79 TSHR (0.41) SMN1; SMN2PKMHSD17B10TSHRALDH1A1
SCHEMBL5608256 0.78 MEN1 (0.40) SMN1; SMN2POLBTSHRALDH1A1MEN1
SCHEMBL4036133 0.76 TSHR (0.44) SMN1; SMN2PKMHSD17B10TSHRALDH1A1
SCHEMBL5608366 0.76 TSHR (0.41) SMN1; SMN2PKMHSD17B10TSHRALDH1A1
SCHEMBL17048689 0.76 SMN1; SMN2 (0.42) SMN1; SMN2POLBPKMATMHSD17B10

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