Quillaic Acid

Quillaic Acid

SCHEMBL7770255

CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)C5CC[C@]43C)[C@H]2C1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F3 P13726 6/20 0.79
▸ SIRT5 Q9NXA8 3/20 0.79
▸ CYP3A4 P08684 2/20 0.79
▸ MAPK1 P28482 1/20 0.79
▸ OXTR P30559 1/20 0.79
▸ AVPR1A P37288 1/20 0.79
▸ CD81 P60033 1/20 0.79
▸ PTPN1 P18031 6/20 0.62
▸ POLB P06746 4/20 0.62
▸ RELA Q04206 4/20 0.62
▸ PTPN2 P17706 3/20 0.62
▸ USP7 Q93009 3/20 0.62
▸ PSMB11 A5LHX3 2/20 0.62
▸ PSMA7 O14818 2/20 0.62
▸ AKR1B10 O60218 2/20 0.62
▸ PLA2G1B P04054 2/20 0.62
▸ PTPRC P08575 2/20 0.62
▸ PTPRF P10586 2/20 0.62
▸ PSMB1 P20618 2/20 0.62
▸ CES1 P23141 2/20 0.62

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
Quillaic Acid SCHEMBL18712201 1.00 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL18704373 1.00 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL26373052 1.00 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL18712199 1.00 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL867115 1.00 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL867116 1.00 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL26759724 1.00 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL18712200 1.00 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
SCHEMBL18712772 0.91 F3 (0.66) F3SIRT5CYP3A4MAPK1OXTR
Echinocystic Acid SCHEMBL741321 0.88 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR

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
US-20130216692-A1 SUBSTANCE MIXTURES SYMRISE AG (DE) 2013-08-22 — — US disclosed
US-20130216692-A1 SUBSTANCE MIXTURES SYMRISE AG (DE) 2013-08-22 — — US disclosed
EP-1121937-A1 VACCINE PREPARATIONS CONTAINING SAPONINS THE KITASATO INSTITUTE (JP) 2001-08-08 — — EP disclosed
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