SCHEMBL8947004

SCHEMBL8947004

C=CC(OC(C)=O)c1ccc(Oc2ccc(CCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.52
ACACA Q13085 5/20 0.52
THRB P10828 3/20 0.50
ALDH1A1 P00352 2/20 0.40
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
FFAR1 O14842 2/20 0.36
KMT2A Q03164 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 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
SCHEMBL9998002 0.83 THRB (0.52) THRBALDH1A1KMT2AMEN1
SCHEMBL8621115 0.77 THRB (0.50) ACACBACACATHRBALDH1A1PPARG
SCHEMBL29034768 0.77 MAPT (0.44) ACACBALDH1A1FFAR1KMT2AMEN1
1'-Acetoxychavicol Acetate SCHEMBL17454871 0.77 LMNA (0.47) ALDH1A1KMT2AMEN1
1'-Acetoxychavicol Acetate SCHEMBL3673490 0.77 LMNA (0.47) ALDH1A1KMT2AMEN1
SCHEMBL8947205 0.75 LMNA (0.46) ACACBACACAALDH1A1PPARGPPARA
SCHEMBL18910940 0.72 ACACB (0.49) ACACBACACATHRBALDH1A1PPARG
SCHEMBL29034776 0.72 TPMT (0.35) ACACBALDH1A1
SCHEMBL27628648 0.72 CYP1A2 (0.44) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL61038 0.72 CYP3A4 (0.50) ALDH1A1KMT2AMEN1

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-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed