SCHEMBL9504754

SCHEMBL9504754

COc1ccc2c(c1)CCC(CNCC(O)c1ccc(Cl)cc1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.51
CYP26A1 O43174 3/20 0.51
CYP27A1 Q02318 3/20 0.48
CYP19A1 P11511 1/20 0.48
ACHE P22303 3/20 0.47
ADRB3 P13945 2/20 0.45
MTNR1A P48039 1/20 0.41
METAP1 P53582 1/20 0.41
ADRB1 P08588 1/20 0.41

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
Hydrochloric Acid SCHEMBL9134137 0.99 CYP24A1 (0.50) CYP24A1CYP26A1CYP27A1CYP19A1ACHE
SCHEMBL9445137 0.87 CYP24A1 (0.48) CYP24A1CYP26A1CYP27A1CYP19A1ADRB3
SCHEMBL9445133 0.87 CYP24A1 (0.48) CYP24A1CYP26A1CYP27A1CYP19A1ADRB3
SCHEMBL9445116 0.87 CYP24A1 (0.48) CYP24A1CYP26A1CYP27A1CYP19A1ADRB3
SCHEMBL9511126 0.87 CYP24A1 (0.48) CYP24A1CYP26A1CYP27A1CYP19A1ADRB3
SCHEMBL9445090 0.87 CYP24A1 (0.48) CYP24A1CYP26A1CYP27A1CYP19A1ADRB3
SCHEMBL9504892 0.85 CYP24A1 (0.46) CYP24A1CYP26A1CYP27A1CYP19A1ACHE
SCHEMBL9505712 0.83 ADRB2 (0.49) CYP24A1CYP26A1CYP27A1CYP19A1ACHE
SCHEMBL9504946 0.83 ADRB2 (0.49) CYP24A1CYP26A1CYP27A1CYP19A1ACHE
SCHEMBL9502729 0.83 CYP24A1 (0.48) CYP24A1CYP26A1CYP27A1CYP19A1ACHE

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
EP-0549668-A1 ANTI-HYPERTENSIVE TETRALINS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-07 EP claimed
WO-1992005143-A1 ANTI-HYPERTENSIVE TETRALINS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO claimed