Barringtogenol C

Barringtogenol C

SCHEMBL14871943

CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.81

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.81
▸ AKR1B10 O60218 3/20 0.63
▸ AKR1B1 P15121 1/20 0.63
▸ ALOX5 P09917 1/20 0.62
▸ F3 P13726 3/20 0.60
▸ SIRT5 Q9NXA8 3/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ OXTR P30559 1/20 0.60
▸ AVPR1A P37288 1/20 0.60
▸ CD81 P60033 1/20 0.60
▸ USP2 O75604 2/20 0.59
▸ POLB P06746 3/20 0.55
▸ PTPN2 P17706 3/20 0.55
▸ PSMB11 A5LHX3 2/20 0.55
▸ PSMA7 O14818 2/20 0.55
▸ PLA2G1B P04054 2/20 0.55
▸ PTPRC P08575 2/20 0.55
▸ PTPRF P10586 2/20 0.55
▸ PSMB1 P20618 2/20 0.55

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
Barringtogenol C SCHEMBL15132635 1.00 PTPN1 (0.81) PTPN1AKR1B10AKR1B1ALOX5F3
Barringtogenol C SCHEMBL1049164 1.00 PTPN1 (0.81) PTPN1AKR1B10AKR1B1ALOX5F3
SCHEMBL15883013 0.92 PTPN1 (0.79) PTPN1AKR1B10AKR1B1ALOX5F3
SCHEMBL19360132 0.92 PTPN1 (0.79) PTPN1AKR1B10AKR1B1ALOX5F3
SCHEMBL4324523 0.91 PTPN1 (0.68) PTPN1AKR1B10AKR1B1ALOX5F3
SCHEMBL15132632 0.91 PTPN1 (0.68) PTPN1AKR1B10AKR1B1ALOX5F3
SCHEMBL30222071 0.91 PTPN1 (0.68) PTPN1AKR1B10AKR1B1ALOX5F3
SCHEMBL1050527 0.91 PTPN1 (0.68) PTPN1AKR1B10AKR1B1ALOX5F3
SCHEMBL19284333 0.90 PTPN1 (1.00) PTPN1AKR1B10AKR1B1ALOX5F3
SCHEMBL29934333 0.90 PTPN1 (1.00) PTPN1AKR1B10AKR1B1ALOX5F3

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-2013055244-A1 PREPARATION OF PROTOESCIGENIN FROM ESCIN INSTYTUT FARMACEUTYCZNY (PL) 2013-04-18 — — WO disclosed
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