SCHEMBL8470566

SCHEMBL8470566

COc1cc(O)c(C(C)(C)C)cc1/C=C/C(=O)c1ccc([AsH]C)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.63
DPP4 P27487 7/20 0.63
ABCG2 Q9UNQ0 3/20 0.63
IDH1 O75874 1/20 0.63
ABCB1 P08183 1/20 0.63
UGT1A1 P22309 1/20 0.63
ABCC1 P33527 1/20 0.63
PRMT6 Q96LA8 1/20 0.63
SNCA P37840 1/20 0.54
CYP1A1 P04798 2/20 0.53
CYP1B1 Q16678 2/20 0.53
CAPN1 P07384 1/20 0.51
TNFRSF1A P19438 1/20 0.51

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
SCHEMBL8470569 1.00 PTPN1 (0.63) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7187519 0.88 PTPN1 (0.79) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7187524 0.88 PTPN1 (0.79) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL9276903 0.88 PTPN1 (0.49) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL9276906 0.88 PTPN1 (0.49) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7184905 0.86 PTPN1 (0.71) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7184899 0.86 PTPN1 (0.71) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7183879 0.84 PTPN1 (0.63) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7183877 0.84 PTPN1 (0.63) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7184292 0.80 PTPN1 (0.78) PTPN1DPP4ABCG2IDH1ABCB1

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-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed