SCHEMBL16704696

SCHEMBL16704696

CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@H]2C1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.83
ALOX5 P09917 2/20 0.83
AKR1B10 O60218 1/20 0.83
AKR1B1 P15121 1/20 0.83
F3 P13726 4/20 0.76
USP2 O75604 2/20 0.76
LMNA P02545 1/20 0.76
CYP3A4 P08684 1/20 0.76
USP7 Q93009 1/20 0.76
SLCO1B3 Q9NPD5 1/20 0.76
SLCO1B1 Q9Y6L6 1/20 0.76
TOP2A P11388 1/20 0.66
PTPN2 P17706 6/20 0.64
PTPN6 P29350 2/20 0.64
EGFR P00533 1/20 0.61
CES2 O00748 1/20 0.61
CES1 P23141 1/20 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
SCHEMBL17332299 1.00 PTPN1 (0.83) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL16704679 0.94 ALOX5 (0.80) PTPN1ALOX5AKR1B10AKR1B1F3
Erythrodiol SCHEMBL18625203 0.91 PTPN1 (1.00) PTPN1ALOX5AKR1B10AKR1B1F3
Erythrodiol SCHEMBL21183484 0.91 PTPN1 (1.00) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL30812366 0.91 ALOX5 (1.00) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL12422238 0.91 ALOX5 (1.00) PTPN1ALOX5AKR1B10AKR1B1F3
Erythrodiol SCHEMBL18688666 0.91 PTPN1 (1.00) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL1011332 0.91 ALOX5 (1.00) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL5887832 0.91 ALOX5 (1.00) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL1011334 0.91 ALOX5 (1.00) 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
US-9029414-B2 Triterpenoid compounds and methods of use thereof BIOTECHNOLOGY RESEARCH CORPORATION (HK) 2015-05-12 US disclosed
US-9029414-B2 Triterpenoid compounds and methods of use thereof BIOTECHNOLOGY RESEARCH CORPORATION (HK) 2015-05-12 US disclosed