SCHEMBL7954307

SCHEMBL7954307

COCCCOc1cc(COC[C@@H](O)C2C[C@@H](C(C)C)C(=O)O2)ccc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TACR1 P25103 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
REN P00797 2/20 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
SCHEMBL7952838 0.90 ALDH1A1 (0.33) ALDH1A1TACR1TSHRHTTKDM4E
SCHEMBL8172060 0.89 REN (0.34) ALDH1A1TSHRHTTLMNAREN
SCHEMBL8164755 0.89 HTR1A (0.33) ALDH1A1TSHRHTTLMNAREN
SCHEMBL4743458 0.89 SLC6A4 (0.36) ALDH1A1TSHRHTTREN
SCHEMBL7944074 0.89 SLC6A4 (0.36) ALDH1A1TSHRHTTREN
SCHEMBL3985082 0.89 HTR1A (0.33) ALDH1A1TSHRHTTKDM4E
SCHEMBL8171740 0.89 HTR1A (0.33) ALDH1A1TSHRHTTKDM4E
SCHEMBL7958700 0.88 ALDH1A1 (0.32) ALDH1A1TACR1REN
SCHEMBL7956435 0.86 ALDH1A1 (0.31) ALDH1A1TACR1
SCHEMBL4743481 0.86 ALDH1A1 (0.31) ALDH1A1TSHRHTT

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