SCHEMBL4783434

SCHEMBL4783434

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.49
ALOX5 P09917 1/20 0.49
CYP3A4 P08684 3/20 0.49
USP2 O75604 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
F3 P13726 2/20 0.47
LMNA P02545 1/20 0.47
USP7 Q93009 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
PTPN2 P17706 6/20 0.47
PTPN6 P29350 2/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47

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
SCHEMBL4783438 0.89 PTPN1 (0.49) PTPN1ALOX5CYP3A4USP2TDP1
SCHEMBL4735955 0.82 PTPN1 (0.56) PTPN1ALOX5CYP3A4USP2TDP1
SCHEMBL4736386 0.79 PTPN1 (0.77) PTPN1ALOX5CYP3A4USP2TP53
SCHEMBL4735959 0.75 PTPN1 (0.54) PTPN1ALOX5CYP3A4USP2TDP1
Terminolic Acid SCHEMBL5796424 0.75 PTPN1 (0.77) PTPN1ALOX5CYP3A4USP2TDP1
Terminolic Acid SCHEMBL5796268 0.75 PTPN1 (0.77) PTPN1ALOX5CYP3A4USP2TDP1
SCHEMBL4734338 0.75 PTPN1 (0.68) PTPN1ALOX5CYP3A4USP2F3
Terminolic Acid SCHEMBL2099327 0.75 PTPN1 (0.77) PTPN1ALOX5CYP3A4USP2TDP1
Terminolic Acid SCHEMBL5798233 0.75 PTPN1 (0.77) PTPN1ALOX5CYP3A4USP2TDP1
Terminolic Acid SCHEMBL5796274 0.75 PTPN1 (0.77) PTPN1ALOX5CYP3A4USP2TDP1

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