Echinocystic Acid

Echinocystic Acid

SCHEMBL741322

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 4/20 1.00
SIRT5 Q9NXA8 3/20 1.00
CYP3A4 P08684 1/20 1.00
MAPK1 P28482 1/20 1.00
OXTR P30559 1/20 1.00
AVPR1A P37288 1/20 1.00
CD81 P60033 1/20 1.00
PTPN1 P18031 8/20 0.75
PTPN2 P17706 4/20 0.75
POLB P06746 3/20 0.75
PTPN6 P29350 3/20 0.75
RELA Q04206 3/20 0.75
PSMB11 A5LHX3 2/20 0.75
PSMA7 O14818 2/20 0.75
AKR1B10 O60218 2/20 0.75
PLA2G1B P04054 2/20 0.75
PTPRC P08575 2/20 0.75
PTPRF P10586 2/20 0.75
PSMB1 P20618 2/20 0.75
CES1 P23141 2/20 0.75

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
Echinocystic Acid SCHEMBL741321 1.00 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR
Echinocystic Acid SCHEMBL30467147 1.00 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR
Echinocystic Acid SCHEMBL18712289 1.00 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR
Echinocystic Acid SCHEMBL4454760 1.00 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR
Echinocystic Acid SCHEMBL13629642 1.00 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR
Echinocystic Acid SCHEMBL18712288 1.00 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR
Echinocystic Acid SCHEMBL18704435 1.00 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR
Echinocystic Acid SCHEMBL17030511 1.00 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR
Echinocystic Acid SCHEMBL42864 1.00 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR
Echinocystic Acid SCHEMBL21892162 1.00 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431041-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CARDIOVASCULAR DISORDER AND USE THEREOF Chengdu Kanghong Pharmaceutical Co., Ltd. (CN) 2012-03-21 EP disclosed