SCHEMBL4743481

SCHEMBL4743481

COCCCOc1cc(COCC(O)C2CC(C(C)C)C(=O)O2)ccc1C#N

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
KCNJ1 P48048 3/20 0.31
KCNH2 Q12809 3/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
CSF1R P07333 1/20 0.31
CASR P41180 1/20 0.30
S1PR1 P21453 2/20 0.30
S1PR5 Q9H228 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL8184848 1.00 ALDH1A1 (0.31) ALDH1A1KCNJ1KCNH2TSHRHTT
SCHEMBL8172060 0.90 REN (0.34) ALDH1A1TSHRHTT
SCHEMBL3985082 0.87 HTR1A (0.33) ALDH1A1TSHRHTT
SCHEMBL8164755 0.87 HTR1A (0.33) ALDH1A1TSHRHTT
SCHEMBL7944074 0.87 SLC6A4 (0.36) ALDH1A1TSHRHTT
SCHEMBL8171740 0.87 HTR1A (0.33) ALDH1A1TSHRHTT
SCHEMBL4743458 0.87 SLC6A4 (0.36) ALDH1A1TSHRHTT
SCHEMBL7954307 0.86 ALDH1A1 (0.34) ALDH1A1TSHRHTT
SCHEMBL4747279 0.83 CYP11B1 (0.33) ALDH1A1TSHRHTT
SCHEMBL4746621 0.83 HMGCR (0.33) 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-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed