SCHEMBL20006831

SCHEMBL20006831

CCC1OC1CCc1cc(F)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.36
SLC6A4 P31645 13/20 0.36
SLC6A3 Q01959 13/20 0.36
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HIF1A Q16665 1/20 0.33
HMGCR P04035 1/20 0.33
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 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
SCHEMBL24317253 0.83 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL24317252 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL13625815 0.75 HMGCR (0.55) LMNAMAPTXBP1HIF1AHMGCR
SCHEMBL20006794 0.73 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL20175293 0.72 ABCB1 (0.43) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL16935935 0.72 HTR2A (0.43) SLC6A2SLC6A4SLC6A3CA3CA6
SCHEMBL12520531 0.72 TYR (0.56) LMNAMAPTXBP1HIF1AHMGCR
SCHEMBL364672 0.70 ESR1 (0.53) LMNAMAPTCA3CA6CA5A
SCHEMBL1270868 0.70 ALOX5 (0.56) LMNAMAPTHMGCR
SCHEMBL23940689 0.70 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3

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
EP-3299364-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2018-03-28 EP disclosed