SCHEMBL4743458

SCHEMBL4743458

COCCCOc1cc(COCC(O)C2CC(C(C)C)C(=O)O2)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.36
HTR1A P08908 15/20 0.36
CYP2D6 P10635 6/20 0.36
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
REN P00797 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
SCHEMBL7944074 1.00 SLC6A4 (0.36) SLC6A4HTR1ACYP2D6ALDH1A1TSHR
SCHEMBL8172060 0.90 REN (0.34) SLC6A4HTR1AALDH1A1TSHRHTT
SCHEMBL8171740 0.89 HTR1A (0.33) SLC6A4HTR1AALDH1A1TSHRHTT
SCHEMBL3985082 0.89 HTR1A (0.33) SLC6A4HTR1AALDH1A1TSHRHTT
SCHEMBL8164755 0.89 HTR1A (0.33) SLC6A4HTR1AALDH1A1TSHRHTT
SCHEMBL7954307 0.89 ALDH1A1 (0.34) ALDH1A1TSHRHTTREN
SCHEMBL4743481 0.87 ALDH1A1 (0.31) ALDH1A1TSHRHTT
SCHEMBL8184848 0.87 ALDH1A1 (0.31) ALDH1A1TSHRHTT
SCHEMBL4746621 0.85 HMGCR (0.33) ALDH1A1TSHRHTT
SCHEMBL4747279 0.85 CYP11B1 (0.33) ALDH1A1TSHRHTTREN

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-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed