SCHEMBL4737967

SCHEMBL4737967

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.64
▸ ALOX5 P09917 3/20 0.63
▸ AKR1B10 O60218 3/20 0.63
▸ AKR1B1 P15121 1/20 0.63
▸ F3 P13726 5/20 0.59
▸ SIRT5 Q9NXA8 3/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ OXTR P30559 1/20 0.59
▸ AVPR1A P37288 1/20 0.59
▸ CD81 P60033 1/20 0.59
▸ USP2 O75604 2/20 0.59
▸ USP7 Q93009 3/20 0.58
▸ LMNA P02545 1/20 0.58
▸ SLCO1B3 Q9NPD5 1/20 0.58
▸ SLCO1B1 Q9Y6L6 1/20 0.58
▸ POLB P06746 3/20 0.54
▸ PTPN2 P17706 3/20 0.54
▸ PSMB11 A5LHX3 2/20 0.54
▸ PSMA7 O14818 2/20 0.54

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
SCHEMBL4737968 1.00 PTPN1 (0.64) PTPN1ALOX5AKR1B10AKR1B1F3
Primulagenin SCHEMBL1050073 0.93 PTPN1 (0.75) PTPN1ALOX5AKR1B10AKR1B1F3
Primulagenin SCHEMBL179854 0.93 PTPN1 (0.75) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL1050549 0.92 ALOX5 (0.75) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL16713188 0.88 PTPN1 (0.61) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL16713189 0.88 PTPN1 (0.61) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL4739790 0.83 CYP3A4 (0.65) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL4739787 0.83 CYP3A4 (0.65) PTPN1ALOX5AKR1B10AKR1B1F3
Primulagenin SCHEMBL8165311 0.82 PTPN1 (0.69) PTPN1AKR1B10AKR1B1F3SIRT5
SCHEMBL13621821 0.82 PTPN1 (0.74) PTPN1ALOX5AKR1B10AKR1B1F3

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
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