SCHEMBL13904476

SCHEMBL13904476

C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(N=O)cc2)c(CC)cc1O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 17/20 0.58
▸ DPP4 P27487 2/20 0.58
▸ IDH1 O75874 1/20 0.58
▸ ABCB1 P08183 1/20 0.58
▸ UGT1A1 P22309 1/20 0.58
▸ ABCC1 P33527 1/20 0.58
▸ PRMT6 Q96LA8 1/20 0.58
▸ ABCG2 Q9UNQ0 1/20 0.58
▸ CHRNA7 P36544 1/20 0.37

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
SCHEMBL11932094 0.90 PTPN1 (0.71) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL12040514 0.78 PTPN1 (0.77) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7178845 0.75 PTPN1 (0.78) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7178841 0.75 PTPN1 (0.78) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7187194 0.74 PTPN1 (0.76) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7177537 0.74 PTPN1 (0.66) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7187188 0.74 PTPN1 (0.76) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7177534 0.74 PTPN1 (0.66) PTPN1DPP4IDH1ABCB1UGT1A1
Licoagrochacone A SCHEMBL4906294 0.73 PTPN1 (1.00) PTPN1DPP4IDH1ABCB1UGT1A1
Licoagrochacone A SCHEMBL30383634 0.73 PTPN1 (1.00) PTPN1DPP4IDH1ABCB1UGT1A1

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-2009028839-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES COMPRISING LICOCHALCONE A KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-03-05 — — WO disclosed
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