SCHEMBL11932094

SCHEMBL11932094

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.71
▸ DPP4 P27487 3/20 0.71
▸ ABCG2 Q9UNQ0 2/20 0.71
▸ IDH1 O75874 1/20 0.71
▸ ABCB1 P08183 1/20 0.71
▸ UGT1A1 P22309 1/20 0.71
▸ ABCC1 P33527 1/20 0.71
▸ PRMT6 Q96LA8 1/20 0.71
▸ CHRNA7 P36544 1/20 0.48
▸ CAPN1 P07384 2/20 0.43
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 2/20 0.43
▸ P4HB P07237 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13904476 0.90 PTPN1 (0.58) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL12040514 0.88 PTPN1 (0.77) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7178841 0.84 PTPN1 (0.78) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7178845 0.84 PTPN1 (0.78) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7187188 0.83 PTPN1 (0.76) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7187194 0.83 PTPN1 (0.76) PTPN1DPP4ABCG2IDH1ABCB1
Licoagrochacone A SCHEMBL29929441 0.83 PTPN1 (1.00) PTPN1DPP4ABCG2IDH1ABCB1
Licoagrochacone A SCHEMBL4906294 0.83 PTPN1 (1.00) PTPN1DPP4ABCG2IDH1ABCB1
Licoagrochacone A SCHEMBL114042 0.83 PTPN1 (1.00) PTPN1DPP4ABCG2IDH1ABCB1
Licoagrochacone A SCHEMBL30383634 0.83 PTPN1 (1.00) 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
EP-2337545-B1 OIL/WATER ACTIVE INGREDIENT EMULSION CONTAINING UV FILTER BEIERSDORF AG (DE) 2012-08-15 — — EP disclosed
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