SCHEMBL4736766

SCHEMBL4736766

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.83
PTPN2 P17706 9/20 0.83
PTPN6 P29350 4/20 0.83
AKR1B10 O60218 3/20 0.79
AKR1B1 P15121 1/20 0.79
POLB P06746 3/20 0.74
PSMB11 A5LHX3 2/20 0.74
PSMA7 O14818 2/20 0.74
PLA2G1B P04054 2/20 0.74
PTPRC P08575 2/20 0.74
PTPRF P10586 2/20 0.74
F3 P13726 2/20 0.74
PSMB1 P20618 2/20 0.74
CES1 P23141 2/20 0.74
ACP1 P24666 2/20 0.74
PSMA1 P25786 2/20 0.74
PSMA2 P25787 2/20 0.74
PSMA3 P25788 2/20 0.74
PSMA4 P25789 2/20 0.74
PSMB8 P28062 2/20 0.74

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
SCHEMBL4736426 0.90 PTPN1 (0.67) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL3871334 0.89 PTPN1 (0.74) PTPN1PTPN2PTPN6AKR1B10AKR1B1
Erythrodiol SCHEMBL18625203 0.88 PTPN1 (1.00) PTPN1PTPN2PTPN6AKR1B10AKR1B1
Erythrodiol SCHEMBL18688666 0.88 PTPN1 (1.00) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL10214415 0.88 PTPN1 (0.85) PTPN1PTPN2PTPN6AKR1B10AKR1B1
Erythrodiol SCHEMBL610723 0.88 PTPN1 (1.00) PTPN1PTPN2PTPN6AKR1B10AKR1B1
Erythrodiol SCHEMBL4423090 0.88 PTPN1 (1.00) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL21470087 0.88 PTPN1 (0.85) PTPN1PTPN2PTPN6AKR1B10AKR1B1
Erythrodiol SCHEMBL21183484 0.88 PTPN1 (1.00) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL4735934 0.88 PTPN1 (0.76) PTPN1PTPN2PTPN6AKR1B10AKR1B1

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-2008071169-A2 METHOD FOR THE PRODUCTION OF SPECIFIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE, IN PARTICULAR TYPE 1 WITH BASIC NOR-OLEANAN OR NOR-URSAN FRAMEWORKS UNIVERSITÄTSKLINIKUM SCHLESWIG-HOLSTEIN (DE) 2008-06-19 WO disclosed