SCHEMBL7956435

SCHEMBL7956435

CCC[C@@H]1C[C@@H]([C@H](O)COCc2ccc(C3CC3)c(OCCCOC)c2)OC1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TACR1 P25103 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
SCHEMBL7958700 0.93 ALDH1A1 (0.32) ALDH1A1TACR1
SCHEMBL7952838 0.89 ALDH1A1 (0.33) ALDH1A1TACR1
SCHEMBL7954307 0.86 ALDH1A1 (0.34) ALDH1A1TACR1
SCHEMBL8164755 0.77 HTR1A (0.33) ALDH1A1
SCHEMBL8172060 0.76 REN (0.34) ALDH1A1
SCHEMBL293552 0.75 HTT (0.42)
SCHEMBL293554 0.75 HTT (0.42)
SCHEMBL8171740 0.75 HTR1A (0.33) ALDH1A1
SCHEMBL3985082 0.75 HTR1A (0.33) ALDH1A1
SCHEMBL7944074 0.75 SLC6A4 (0.36) ALDH1A1

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
WO-2010024772-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-04 WO disclosed