SCHEMBL9799166

SCHEMBL9799166

CCOC(=O)CC(=O)CC(O)C=CC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1nnnn1C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.51
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9799162 1.00 HMGCR (0.51) HMGCRALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL9726642 0.90 HMGCR (0.64) HMGCR
SCHEMBL9726639 0.90 HMGCR (0.64) HMGCR
SCHEMBL9726496 0.90 HMGCR (0.54) HMGCRALDH1A1RAB9ASMN1; SMN2
SCHEMBL9726485 0.90 HMGCR (0.54) HMGCRALDH1A1RAB9ASMN1; SMN2
SCHEMBL9798888 0.86 HMGCR (0.60) HMGCRALDH1A1
SCHEMBL9798880 0.86 HMGCR (0.60) HMGCRALDH1A1
SCHEMBL9726503 0.85 HMGCR (0.52) HMGCR
SCHEMBL9726510 0.85 HMGCR (0.52) HMGCR
SCHEMBL9726495 0.85 HMGCR (0.52) HMGCR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US claimed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO claimed