SCHEMBL4861074

SCHEMBL4861074

CC(C)OC(=O)C(C)(C)N1CCC([AsH]Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ SLC6A5 Q9Y345 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
SCHEMBL2802651 0.82 TEAD1 (0.53) CYP3A4MAPTMAPK1EPHX2DRD2
SCHEMBL3797549 0.74 HRH2 (0.45) ALDH1A1CCR5HRH3EPHX2
SCHEMBL3631495 0.71 TEAD1 (0.52) L3MBTL1EPHX2DRD2DRD4SLC6A5
SCHEMBL2804476 0.71 TEAD1 (0.56) CYP3A4MAPTMAPK1HRH3DRD2
SCHEMBL2808223 0.71 BCHE (0.51) MMP13HRH3EPHX2
SCHEMBL14216185 0.70 ACHE (0.45) MMP1MMP13HRH3DRD4
SCHEMBL2802531 0.69 TEAD1 (0.54) HRH3DRD2DRD4SLC6A5
SCHEMBL2802000 0.69 TEAD1 (0.53) KDM4EALDH1A1MCHR1EPHX2DRD2
SCHEMBL14476853 0.68 TSHR (0.57) PTPN1MAPTHRH3
SCHEMBL3629314 0.66 TEAD1 (0.58) MCHR1HRH3DRD2DRD4

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
WO-2008140450-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 — — WO disclosed
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