SCHEMBL6816904

SCHEMBL6816904

CC1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC[C@@]12C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.75
PTPN1 P18031 10/20 0.69
F3 P13726 4/20 0.69
USP2 O75604 2/20 0.69
LMNA P02545 1/20 0.69
CYP3A4 P08684 1/20 0.69
USP7 Q93009 1/20 0.69
SLCO1B3 Q9NPD5 1/20 0.69
SLCO1B1 Q9Y6L6 1/20 0.69
AKR1B10 O60218 1/20 0.61
AKR1B1 P15121 1/20 0.61
CES2 O00748 1/20 0.60
CES1 P23141 1/20 0.60
TOP2A P11388 1/20 0.60
EGFR P00533 1/20 0.56

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
Soyasapogenol B SCHEMBL12422241 0.92 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL2895622 0.92 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL398310 0.92 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL8339201 0.92 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL12509509 0.92 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL6235008 0.92 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL2895626 0.92 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
SCHEMBL6812279 0.90 ALOX5 (0.75) ALOX5PTPN1F3USP2LMNA
SCHEMBL12422236 0.88 USP2 (0.73) ALOX5PTPN1F3USP2USP7
SCHEMBL16449544 0.88 USP2 (0.73) ALOX5PTPN1F3USP2USP7

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