SCHEMBL7746008

SCHEMBL7746008

CCOC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.56
ESR2 Q92731 1/20 0.48
HDAC8 Q9BY41 11/20 0.48
NR1D1 P20393 3/20 0.47
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL7746006 1.00 PTPN1 (0.56) PTPN1ESR2HDAC8NR1D1OPRM1
SCHEMBL2078707 0.95 ESR2 (0.51) PTPN1ESR2HDAC8NR1D1
SCHEMBL1202386 0.87 PTPN1 (0.69) PTPN1ESR2HDAC8
SCHEMBL29369360 0.87 PTPN1 (0.69) PTPN1ESR2HDAC8
SCHEMBL17486413 0.87 PTPN1 (0.69) PTPN1ESR2HDAC8
SCHEMBL30592013 0.87 PTPN1 (0.69) PTPN1ESR2HDAC8
SCHEMBL2895743 0.87 PTPN1 (0.69) PTPN1ESR2HDAC8
SCHEMBL6650752 0.86 NR1D1 (0.61) PTPN1HDAC8NR1D1
SCHEMBL4480030 0.86 NR1D1 (0.61) PTPN1HDAC8NR1D1
SCHEMBL29409306 0.86 NR1D1 (0.61) PTPN1HDAC8NR1D1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed