SCHEMBL31545514

SCHEMBL31545514

COc1ccc2c(c1)OCC(c1ccc(O)cc1)C2

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.72
ESR2 Q92731 1/20 0.72
TTR P02766 1/20 0.72
ALOX15 P16050 7/20 0.70
ALOX12 P18054 7/20 0.70
ALOX15B O15296 3/20 0.62
CYP19A1 P11511 2/20 0.49
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TAS2R31 P59538 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP26A1 O43174 1/20 0.41

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
SCHEMBL38662450 0.92 ESR1 (0.76) ESR1ESR2TTRALOX15ALOX12
SCHEMBL12914761 0.92 ESR1 (0.76) ESR1ESR2TTRALOX15ALOX12
SCHEMBL19418881 0.92 ALOX15 (0.72) ESR1ESR2TTRALOX15ALOX12
SCHEMBL10535824 0.86 ALOX15 (0.61) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL2002128 0.84 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL43647 0.84 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL677723 0.84 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL43648 0.84 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL29467332 0.84 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
SCHEMBL29724948 0.84 ALOX15 (0.59) ESR1ESR2TTRALOX15ALOX12

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
US-20250090554-A1 A METHOD OF TREATING DEPRESSION BY IMMUNE MODULATION MYND LIFE SCIENCES INC (CA) 2025-03-20 US disclosed