SCHEMBL8705669

SCHEMBL8705669

CCOc1ccc(-c2ccc(C#CC3C(O)C4CCN3CC4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.39
MAPT P10636 2/20 0.37
HRH2 P25021 3/20 0.36
HRH1 P35367 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
CACNA2D1 P54289 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL8921318 0.86 ALDH1A1 (0.45) ACACBHRH2HRH1HRH3ALDH1A1
Hydrochloric Acid SCHEMBL8919722 0.85 ALDH1A1 (0.44) ACACBHRH3ALDH1A1LMNAKMT2A
SCHEMBL8919308 0.84 RAB9A (0.43) ACACBALDH1A1KMT2A
SCHEMBL8417915 0.83 ACACB (0.37) ACACBHRH2HRH1HRH3ALDH1A1
SCHEMBL8418559 0.83 ATM (0.44) MAPTALDH1A1
SCHEMBL8712010 0.82 CYP1A1 (0.38) MAPTHRH3LMNAKMT2A
SCHEMBL8422069 0.81 CTSK (0.42) HRH1ALDH1A1PKMKMT2A
SCHEMBL8707234 0.81 HRH3 (0.37) ACACBHRH3
SCHEMBL8919982 0.79 MMP13 (0.46) ALDH1A1
SCHEMBL8421972 0.79 ACACB (0.38) ACACBHRH3

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-5770608-A ANTICHOLESTEROL AGENTS FOR TREATING CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-06-23 US disclosed