SCHEMBL9855396

SCHEMBL9855396

CC(C)C(C=CC(O)CC(=O)CC(=O)OC(C)(C)C)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL9855395 1.00 HMGCR (0.36) HMGCRADRB2ADRB1ADRB3HDAC3
SCHEMBL9622023 1.00 HMGCR (0.36) HMGCRADRB2ADRB1ADRB3HDAC3
SCHEMBL9855538 0.92 HMGCR (0.35) HMGCRADRB2ADRB1ADRB3HDAC3
SCHEMBL9855534 0.92 HMGCR (0.35) HMGCRADRB2ADRB1ADRB3HDAC3
SCHEMBL9855675 0.87 ALDH1A1 (0.35) HMGCRADRB2ADRB1ADRB3
SCHEMBL9855198 0.86 HMGCR (0.36) HMGCRADRB2ADRB1ADRB3HDAC3
SCHEMBL9622390 0.86 HMGCR (0.38) HMGCRADRB2ADRB1ADRB3LMNA
SCHEMBL9855703 0.85 HMGCR (0.43) HMGCR
SCHEMBL9855706 0.85 HMGCR (0.36) HMGCRADRB2ADRB1ADRB3HDAC3
SCHEMBL9622380 0.85 HMGCR (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011947-A Enzyme inhibitors for cholesterol biosythesis BRISTOL-MYERS (US) 1991-04-30 US disclosed