SCHEMBL4735932

SCHEMBL4735932

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.61
PTPN2 P17706 9/20 0.61
PTPN6 P29350 4/20 0.61
AKR1B10 O60218 3/20 0.56
AKR1B1 P15121 1/20 0.56
ALOX5 P09917 1/20 0.55
ALOX15 P16050 1/20 0.55
F3 P13726 4/20 0.53
POLB P06746 3/20 0.53
USP7 Q93009 3/20 0.53
USP2 O75604 3/20 0.53
PSMB11 A5LHX3 2/20 0.53
PSMA7 O14818 2/20 0.53
PLA2G1B P04054 2/20 0.53
PTPRC P08575 2/20 0.53
PTPRF P10586 2/20 0.53
PSMB1 P20618 2/20 0.53
CES1 P23141 2/20 0.53
ACP1 P24666 2/20 0.53
PSMA1 P25786 2/20 0.53

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
SCHEMBL4899244 0.85 PTPN1 (0.72) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL4736766 0.85 PTPN1 (0.83) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL4285753 0.85 USP2 (0.71) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL4736334 0.84 PTPN1 (0.57) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL2984032 0.81 PTPN1 (0.61) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL3871334 0.81 PTPN1 (0.74) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL4734338 0.80 PTPN1 (0.68) PTPN1PTPN2PTPN6AKR1B10AKR1B1
SCHEMBL4736386 0.79 PTPN1 (0.77) PTPN1PTPN2AKR1B10AKR1B1ALOX5
SCHEMBL9565816 0.77 ALOX5 (0.61) PTPN1ALOX5ALOX15USP2CES1
SCHEMBL4736426 0.74 PTPN1 (0.67) 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 claimed