SCHEMBL3775563

SCHEMBL3775563

COC(=O)C(NC(=O)OC(C)(C)C)c1ccc(O)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.50
TSHR P16473 2/20 0.48
BLM P54132 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.46
SLC22A3 O75751 1/20 0.44
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.42
GAA P10253 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
PMP22 Q01453 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
SCHEMBL10806937 0.90 TSHR (0.58) FOLH1TSHRBLMNPSR1SLC22A3
SCHEMBL3705247 0.86 CTSS (0.41) FOLH1
SCHEMBL2582580 0.81 CTSS (0.48)
SCHEMBL1554126 0.81 CTSS (0.48)
SCHEMBL1554122 0.81 CTSS (0.48)
SCHEMBL6678032 0.80 CTSS (0.47)
SCHEMBL2426585 0.80 NPSR1 (0.50) TSHRNPSR1
SCHEMBL2426587 0.80 NPSR1 (0.50) TSHRNPSR1
SCHEMBL13808330 0.80 NPSR1 (0.50) TSHRNPSR1
SCHEMBL3812435 0.79 KDM4E (0.48) FOLH1TSHRBLMNPSR1LMNA

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-2217592-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009058300-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed