SCHEMBL31433385

SCHEMBL31433385

Cc1cc(O)cc2cc3cc(O)ccc3cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.54
ESR1 P03372 9/20 0.52
ESR2 Q92731 9/20 0.52
CYP1A2 P05177 2/20 0.45
ABL1 P00519 1/20 0.44
ABCB1 P08183 1/20 0.44
BCR P11274 1/20 0.44
CYP3A4 P08684 3/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM1 P11229 1/20 0.41
MAOA P21397 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL9623383 0.85 ESR2 (0.52) DYRK1AESR1ESR2CYP1A2ABL1
SCHEMBL11054996 0.81 CYP1A2 (0.55) DYRK1AESR1ESR2CYP1A2CYP3A4
SCHEMBL23199043 0.78 DYRK1A (0.49) DYRK1AESR1ESR2CYP1A2ABL1
SCHEMBL11753900 0.78 ESR1 (0.57) DYRK1AESR1ESR2CYP1A2ABL1
SCHEMBL392290 0.78 CYP1A2 (0.68) ESR1ESR2CYP1A2ABL1ABCB1
SCHEMBL29405718 0.78 CYP1A2 (0.68) ESR1ESR2CYP1A2ABL1ABCB1
SCHEMBL29973107 0.78 CYP1A2 (0.68) ESR1ESR2CYP1A2ABL1ABCB1
SCHEMBL755928 0.78 CYP1A2 (0.68) ESR1ESR2CYP1A2ABL1ABCB1
SCHEMBL19012009 0.77 ESR1 (0.50) DYRK1AESR1ESR2CYP3A4ALOX15
SCHEMBL28142951 0.76 DYRK1A (0.43) DYRK1AESR1ESR2CYP1A2ABL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285454-A Novel compounds separated from Pyricularia oryzae antagonistic bacteria ZY66 and application thereof 湖南农业大学 2025-01-10 CN claimed
CN-119285454-A Novel compounds separated from Pyricularia oryzae antagonistic bacteria ZY66 and application thereof 湖南农业大学 2025-01-10 CN disclosed