SCHEMBL6207500

SCHEMBL6207500

CC(C)(C)OC(=O)NCC1(COc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
NR4A2 P43354 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CYP26A1 O43174 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
DGAT1 O75907 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL5070237 0.89 MAPT (0.47) MAPTCA12CA1CA2CA9
SCHEMBL1606333 0.77 TSHR (0.67) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL7488414 0.76 CA12 (0.67) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL19744392 0.75 RAB9A (0.41) MAPTHTT
SCHEMBL15856108 0.74 CA12 (0.67) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL18866772 0.74 HCRTR2 (0.41) TSHRMAPK1CA12CA1CA2
SCHEMBL30325046 0.72 CA12 (0.57) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL30325282 0.72 CA12 (0.57) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL13690596 0.72 MAPT (0.48) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL22048446 0.72 DPP4 (0.46) CA12CA1CA2CA9

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-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 WO disclosed