SCHEMBL16713188

SCHEMBL16713188

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.61
▸ PTPN2 P17706 2/20 0.61
▸ ALOX5 P09917 3/20 0.56
▸ AKR1B10 O60218 2/20 0.56
▸ AKR1B1 P15121 1/20 0.56
▸ F3 P13726 4/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ SIRT5 Q9NXA8 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ OXTR P30559 1/20 0.52
▸ AVPR1A P37288 1/20 0.52
▸ CD81 P60033 1/20 0.52
▸ USP2 O75604 2/20 0.52
▸ USP7 Q93009 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ SLCO1B3 Q9NPD5 1/20 0.52
▸ SLCO1B1 Q9Y6L6 1/20 0.52
▸ TOP2A P11388 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ PSMB11 A5LHX3 1/20 0.48

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
SCHEMBL16713189 1.00 PTPN1 (0.61) PTPN1PTPN2ALOX5AKR1B10AKR1B1
SCHEMBL4737967 0.88 PTPN1 (0.64) PTPN1PTPN2ALOX5AKR1B10AKR1B1
SCHEMBL4737968 0.88 PTPN1 (0.64) PTPN1PTPN2ALOX5AKR1B10AKR1B1
Primulagenin SCHEMBL1050073 0.87 PTPN1 (0.75) PTPN1PTPN2ALOX5AKR1B10AKR1B1
Primulagenin SCHEMBL179854 0.87 PTPN1 (0.75) PTPN1PTPN2ALOX5AKR1B10AKR1B1
SCHEMBL1050549 0.86 ALOX5 (0.75) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL16713179 0.85 PTPN1 (0.76) PTPN1PTPN2ALOX5AKR1B10AKR1B1
SCHEMBL16713178 0.85 PTPN1 (0.76) PTPN1PTPN2ALOX5AKR1B10AKR1B1
SCHEMBL16713198 0.82 PTPN1 (0.63) PTPN1PTPN2ALOX5AKR1B10AKR1B1
SCHEMBL16713199 0.82 PTPN1 (0.63) PTPN1PTPN2ALOX5AKR1B10AKR1B1

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-9994883-B2 Triterpenoid sapogenin production in plant and microbial cultures VIB VZW (BE) 2018-06-12 — — US disclosed
US-20150141633-A1 TRITERPENOID SAPOGENIN PRODUCTION IN PLANT AND MICROBIAL CULTURES UNIVERSITEIT GENT (BE) 2015-05-21 — — US disclosed
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