SCHEMBL4646244

SCHEMBL4646244

CC(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)C(C)CCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.69
SLC10A1 Q14973 1/20 0.38
GPBAR1 Q8TDU6 13/20 0.37
PRKCD Q05655 1/20 0.37
NR1H4 Q96RI1 2/20 0.34

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
SCHEMBL8068676 0.82 PTPN1 (1.00) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL160601 0.82 PTPN1 (1.00) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL2574594 0.75 PTPN1 (0.71) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL8649639 0.73 PTPN1 (0.38) PTPN1SLC10A1
SCHEMBL16432790 0.70 PTPN1 (0.54) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL4646248 0.69 PTPN1 (0.76) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL17867295 0.68 PTPN1 (0.74) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL17388705 0.68 PTPN1 (0.57) PTPN1GPBAR1
SCHEMBL18730236 0.66 PTPN1 (0.69) PTPN1SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL20993929 0.65 GPBAR1 (0.64) SLC10A1GPBAR1PRKCDNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160153945-A1 METHOD AND KIT FOR THE IDENTIFICATION OF COMPOUNDS IN AN ORGANIC MIXTURE TOTAL S.A. (FR) 2016-06-02 US disclosed
EP-3022554-A1 PROCESS AND KIT FOR IDENTIFYING COMPOUNDS OF AN ORGANIC MIXTURE Total S.A. (FR) 2016-05-25 EP disclosed
WO-2015007898-A1 PROCESS AND KIT FOR IDENTIFYING COMPOUNDS OF AN ORGANIC MIXTURE TOTAL S.A. (FR) 2015-01-22 WO disclosed
EP-1347295-B1 Method for detecting or quantitatively determining Natural bitumen in an asphalt sample CARL UNGEWITTER TRINIDAD LAKE (DE) 2008-08-13 EP disclosed
EP-1347295-A1 Method for detecting or quantitatively determining Natural bitumen in an asphalt sample Carl Ungewitter Trinidad Lake Asphalt GmbH & Co. KG (DE) 2003-09-24 EP disclosed