SCHEMBL8712899

SCHEMBL8712899

CC(C)(C)OC(=O)COC1CCC(OC(=O)c2cc3cc(C#N)ccc3o2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.43
HRH3 Q9Y5N1 2/20 0.42
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
GPR119 Q8TDV5 3/20 0.37
ABCB1 P08183 1/20 0.36
F2 P00734 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8904008 0.86 CETP (0.43) CETPHRH3DRD2DRD4DRD3
SCHEMBL8715642 0.86 CETP (0.43) CETPHRH3DRD2DRD4DRD3
SCHEMBL8903224 0.86 HRH3 (0.46) CETPHRH3DRD2DRD4DRD3
SCHEMBL8715740 0.83 F2 (0.53) F2TPSAB1TPSD1TPSG1
SCHEMBL8717784 0.75 HRH3 (0.46) HRH3DRD2DRD4DRD3TPSAB1
SCHEMBL8715681 0.72 MAPT (0.46) CETPDRD2DRD4DRD3L3MBTL1
SCHEMBL7449870 0.72 CA12 (0.50) HRH3
SCHEMBL8712830 0.72 DRD2 (0.45) HRH3DRD2DRD4DRD3
SCHEMBL8716441 0.72 NPC1 (0.46) CETP
SCHEMBL8905478 0.72 NPC1 (0.46) CETP

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-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed