SCHEMBL12948024

SCHEMBL12948024

COC(=O)[C@H]1CCCC[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL10389540 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL10389542 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL262052 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL27265137 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL7076034 0.98 SLC6A2 (0.45) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL23921599 0.95 CHRM2 (0.47) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL8384596 0.95 CHRM2 (0.47) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL2693326 0.95 CHRM2 (0.47) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL7079357 0.95 CHRM2 (0.47) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL7191976 0.95 CHRM2 (0.47) CHRM2CHRM4CHRM3SLC6A2SLC6A4

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
US-7875707-B2 combinatorial libraries; lipid solubility; solid phase synthesis ALCHEMIA LIMITED (AU) 2011-01-25 US disclosed