SCHEMBL14640917

SCHEMBL14640917

CC(C)C(=O)O[C@@H]1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL11931641 1.00 SLC6A3 (0.37) SLC6A3MEN1KMT2AHPGDTSHR
SCHEMBL10070918 0.94 LMNA (0.35) SLC6A3MEN1KMT2AHPGDTSHR
SCHEMBL10799911 0.89 SLC6A3 (0.37) SLC6A3MEN1KMT2AHPGDTSHR
SCHEMBL10957531 0.87 SLC6A3 (0.36) SLC6A3MEN1KMT2AHPGDTSHR
SCHEMBL10807859 0.87 SLC6A3 (0.36) SLC6A3MEN1KMT2AHPGDTSHR
SCHEMBL13918183 0.86 SLC6A3 (0.35) SLC6A3MEN1KMT2AHPGDTSHR
SCHEMBL785889 0.83 HTT (0.36) SLC6A3MEN1KMT2AHPGDTSHR
SCHEMBL11941671 0.83 SLC6A3 (0.43) SLC6A3MEN1KMT2AHPGDTSHR
SCHEMBL19286008 0.82 MEN1 (0.34) SLC6A3MEN1KMT2AHPGDTSHR
SCHEMBL10441223 0.80 POLB (0.37) MEN1KMT2AHPGDTSHRNPSR1

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-20070004010-A1 Engineered Enzymes and Their Use for Synthesis of Thioglycosides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2007-01-04 US disclosed