SCHEMBL4734341

SCHEMBL4734341

CC1(C)CC[C@]2(COC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(COC(=O)O)C5CC[C@]43C)[C@H]2C1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.65
ALOX5 P09917 2/20 0.65
AKR1B10 O60218 1/20 0.59
PYGM P11217 1/20 0.59
AKR1B1 P15121 1/20 0.59
PTPN2 P17706 1/20 0.59
GPBAR1 Q8TDU6 1/20 0.59

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
SCHEMBL4736389 0.95 PTPN1 (0.73) PTPN1ALOX5AKR1B10PYGMAKR1B1
SCHEMBL4736336 0.85 PTPN1 (0.58) PTPN1AKR1B10PYGMAKR1B1PTPN2
SCHEMBL4736769 0.85 PTPN1 (0.76) PTPN1AKR1B10AKR1B1PTPN2GPBAR1
SCHEMBL4735934 0.85 PTPN1 (0.76) PTPN1AKR1B10AKR1B1PTPN2GPBAR1
SCHEMBL4734338 0.84 PTPN1 (0.68) PTPN1ALOX5AKR1B10PYGMAKR1B1
SCHEMBL4736386 0.83 PTPN1 (0.77) PTPN1ALOX5AKR1B10PYGMAKR1B1
SCHEMBL4735959 0.82 PTPN1 (0.54) PTPN1ALOX5AKR1B10PYGMAKR1B1
SCHEMBL5800384 0.82 PTPN1 (0.76) PTPN1ALOX5AKR1B10PYGMAKR1B1
SCHEMBL5800381 0.82 PTPN1 (0.76) PTPN1ALOX5AKR1B10PYGMAKR1B1
SCHEMBL4734806 0.80 GABRP (0.75) PTPN1ALOX5AKR1B10PYGMAKR1B1

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 2 patents. 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 claimed
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