SCHEMBL30812366

SCHEMBL30812366

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 1.00
PTPN1 P18031 6/20 0.77
F3 P13726 4/20 0.77
USP2 O75604 2/20 0.77
LMNA P02545 1/20 0.77
CYP3A4 P08684 1/20 0.77
USP7 Q93009 1/20 0.77
SLCO1B3 Q9NPD5 1/20 0.77
SLCO1B1 Q9Y6L6 1/20 0.77
TOP2A P11388 1/20 0.76
ALOX15 P16050 1/20 0.70
AKR1B10 O60218 1/20 0.68
AKR1B1 P15121 1/20 0.68
EGFR P00533 1/20 0.62
CES2 O00748 3/20 0.61
CES1 P23141 3/20 0.61

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
SCHEMBL1011332 1.00 ALOX5 (1.00) ALOX5PTPN1F3USP2LMNA
SCHEMBL1011334 1.00 ALOX5 (1.00) ALOX5PTPN1F3USP2LMNA
SCHEMBL5887832 1.00 ALOX5 (1.00) ALOX5PTPN1F3USP2LMNA
SCHEMBL12422238 1.00 ALOX5 (1.00) ALOX5PTPN1F3USP2LMNA
Alcohol SCHEMBL2197089 0.98 ALOX5 (0.96) ALOX5PTPN1F3USP2LMNA
Alcohol SCHEMBL2197096 0.98 ALOX5 (0.96) ALOX5PTPN1F3USP2LMNA
SCHEMBL17332299 0.91 PTPN1 (0.83) ALOX5PTPN1F3USP2LMNA
SCHEMBL16704696 0.91 PTPN1 (0.83) ALOX5PTPN1F3USP2LMNA
SCHEMBL5887740 0.90 ALOX5 (0.81) ALOX5PTPN1F3USP2LMNA
SCHEMBL5887909 0.90 ALOX5 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024047057-A1 MEANS AND METHODS TO PRODUCE TRITERPENE SAPONINS IN EUKARYOTIC CELLS VIB VZW (BE) 2024-03-07 WO disclosed