SCHEMBL5598960

SCHEMBL5598960

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)CCC5(O)O)[C@@H]2C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.71
PTPN2 P17706 7/20 0.71
AKR1B10 O60218 3/20 0.64
GPBAR1 Q8TDU6 3/20 0.64
POLB P06746 3/20 0.64
F3 P13726 3/20 0.64
PSMB11 A5LHX3 2/20 0.64
PSMA7 O14818 2/20 0.64
PLA2G1B P04054 2/20 0.64
PTPRC P08575 2/20 0.64
PTPRF P10586 2/20 0.64
PSMB1 P20618 2/20 0.64
CES1 P23141 2/20 0.64
ACP1 P24666 2/20 0.64
PSMA1 P25786 2/20 0.64
PSMA2 P25787 2/20 0.64
PSMA3 P25788 2/20 0.64
PSMA4 P25789 2/20 0.64
PSMB8 P28062 2/20 0.64
PSMB9 P28065 2/20 0.64

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
SCHEMBL5797469 0.92 PTPN1 (0.66) PTPN1PTPN2AKR1B10GPBAR1POLB
SCHEMBL5799375 0.86 PTPN1 (0.68) PTPN1PTPN2AKR1B10GPBAR1POLB
SCHEMBL5799296 0.84 PTPN1 (0.73) PTPN1PTPN2AKR1B10GPBAR1POLB
SCHEMBL2586364 0.84 PTPN1 (0.73) PTPN1PTPN2AKR1B10GPBAR1POLB
SCHEMBL5797472 0.84 PTPN1 (0.72) PTPN1PTPN2AKR1B10GPBAR1POLB
SCHEMBL178211 0.83 PTPN1 (1.00) PTPN1PTPN2AKR1B10GPBAR1POLB
SCHEMBL25981456 0.83 PTPN1 (1.00) PTPN1PTPN2AKR1B10GPBAR1POLB
SCHEMBL14642424 0.83 PTPN1 (1.00) PTPN1PTPN2AKR1B10GPBAR1POLB
SCHEMBL178210 0.83 PTPN1 (1.00) PTPN1PTPN2AKR1B10GPBAR1POLB
SCHEMBL4899244 0.82 PTPN1 (0.72) PTPN1PTPN2AKR1B10GPBAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797108-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS AND BACTERIAL INFECTIONS Eldridge, Gary R. (US) 2007-06-20 EP disclosed
WO-2006064583-A1 TERPENE, METHOD FOR DETERMINING ITS BLOOD CONCENTRATION, AND METHOD FOR ANALYZING ITS PHARMACOKINETICS USE-TECHNO CORPORATION (JP) 2006-06-22 WO disclosed
WO-2006031943-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS AND BACTERIAL INFECTIONS ELDRIDGE GARY R (US) 2006-03-23 WO disclosed