SCHEMBL30967669

SCHEMBL30967669

CCOc1ccc(OC(=O)CC)cc1.O=C(O)C(O)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.51
HIF1A Q16665 2/20 0.51
LTA4H P09960 1/20 0.46
ELANE P08246 1/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
ACACB O00763 1/20 0.41
MAOB P27338 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL30967697 0.93 ESR1 (0.58) ESR1HIF1AELANEKMT2ARECQL
SCHEMBL30967672 0.90 ESR1 (0.49) ESR1HIF1ALTA4HELANEKMT2A
SCHEMBL30967666 0.90 ESR1 (0.51) ESR1HIF1AELANEKMT2ARECQL
Mandelic Acid SCHEMBL30967659 0.89 ELANE (0.52) ESR1HIF1ALTA4HELANEKMT2A
SCHEMBL30967691 0.88 ESR1 (0.50) ESR1HIF1AELANEKMT2ARECQL
SCHEMBL30967695 0.88 ESR1 (0.52) ESR1HIF1ALTA4HELANEKMT2A
SCHEMBL30967640 0.88 ESR1 (0.52) ESR1HIF1ALTA4HELANEKMT2A
SCHEMBL23053351 0.84 AKR1C3 (0.55) SMN1; SMN2CNR2AKR1C3AKR1C2ACACB
SCHEMBL9427862 0.84 AKR1C3 (0.55) SMN1; SMN2CNR2AKR1C3AKR1C2ACACB
SCHEMBL9195223 0.84 AKR1C3 (0.55) SMN1; SMN2CNR2AKR1C3AKR1C2ACACB

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