SCHEMBL6816946

SCHEMBL6816946

CO[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)C[C@@H](O)[C@]4(C)CC[C@]23C)[C@]1(C)CO

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.63
PTPN1 P18031 6/20 0.58
F3 P13726 2/20 0.58
USP2 O75604 2/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
USP7 Q93009 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
AKR1B10 O60218 1/20 0.55
AKR1B1 P15121 1/20 0.55
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
TOP2A P11388 1/20 0.50
EGFR P00533 1/20 0.50

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
SCHEMBL12509508 1.00 ALOX5 (0.63) ALOX5PTPN1F3USP2LMNA
SCHEMBL15314052 1.00 ALOX5 (0.63) ALOX5PTPN1F3USP2LMNA
SCHEMBL13984298 0.92 ALOX5 (0.62) ALOX5PTPN1F3USP2LMNA
SCHEMBL20130493 0.91 ALOX5 (0.61) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL12509509 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL12422241 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL398310 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL8339201 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL2895626 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL6235008 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879824-B1 TRITERPENE DERIVATIVES AND REMEDY FOR LIVER DISEASES MEIJI SEIKA KAISHA (JP) 2004-04-28 EP disclosed
US-6306862-B1 TREATMENT OF LIVER DISORDERS MEIJI SEIKA KAISHA, LTD. (JP) 2001-10-23 US disclosed
EP-0879824-A1 TRITERPENE DERIVATIVES AND REMEDY FOR LIVER DISEASES Meiji Seika Kaisha, Ltd. (JP) 1998-11-25 EP disclosed