SCHEMBL30967658

SCHEMBL30967658

CCC(=O)Oc1cc(OC)cc(OC)c1.CCCOc1ccc(C(O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
HIF1A Q16665 1/20 0.44
FAAH O00519 1/20 0.42
ACACB O00763 3/20 0.41
ACACA Q13085 2/20 0.41
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
AKR1C1 Q04828 1/20 0.40
PTGS1 P23219 1/20 0.40
LMNA P02545 2/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL30967656 1.00 ESR1 (0.44) ESR1HIF1AFAAHACACBACACA
SCHEMBL30967678 0.93 FAAH (0.49) ESR1HIF1AFAAHACACBACACA
SCHEMBL30967615 0.92 ALOX5 (0.47) ESR1HIF1AFAAHACACBACACA
SCHEMBL30967630 0.90 ESR1 (0.50) ESR1HIF1AAKR1C3AKR1C2AKR1C1
SCHEMBL30967691 0.86 ESR1 (0.50) ESR1HIF1AFAAHACACBACACA
SCHEMBL30967672 0.85 ESR1 (0.49) ESR1HIF1AFAAHACACBACACA
Mandelic Acid SCHEMBL30967633 0.85 ELANE (0.50) ESR1HIF1AFAAHLMNATSHR
SCHEMBL30967683 0.85 BLM (0.46) ESR1HIF1AALOX5AKR1C3AKR1C2
Mandelic Acid SCHEMBL30967680 0.85 LMNA (0.50) ESR1HIF1ALMNABLMNPSR1
SCHEMBL30967609 0.83 ESR1 (0.58) ESR1HIF1AAKR1C3AKR1C2AKR1C1

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-2024105203-A1 NOVEL ANTI-SENESCENCE COMPOUNDS VITEXIA APS (DK) 2024-05-23 WO disclosed