SCHEMBL30455978

SCHEMBL30455978

Cc1ccc2occc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.54
WNT3A P56704 2/20 0.54
CYP2A6 P11509 5/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 2/20 0.48
DYRK1A Q13627 4/20 0.47
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CDK9 P50750 1/20 0.46
MAOB P27338 1/20 0.46
HTR1B P28222 5/20 0.44
TDP1 Q9NUW8 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
SCHEMBL172397 1.00 CTNNB1 (0.54) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2
Benzene SCHEMBL28069373 0.96 MAOB (0.52) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2
Oxirane SCHEMBL826781 0.92 CTNNB1 (0.49) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2
SCHEMBL15504108 0.83 DYRK1A (0.65) CTNNB1WNT3ADYRK1ACA12CA2
SCHEMBL172445 0.81 CYP2A6 (0.48) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2
SCHEMBL13305088 0.80 CTNNB1 (0.40) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2
Ethoxycarbonyl Group SCHEMBL28120407 0.80 CTNNB1 (0.47) CTNNB1WNT3ACYP2A6ALDH1A1DYRK1A
SCHEMBL1602149 0.78 HTR1B (0.55) CTNNB1WNT3ACYP2A6DYRK1ACA12
SCHEMBL4851681 0.78 CTNNB1 (0.49) CTNNB1WNT3ACYP2A6DYRK1ACA12
SCHEMBL827503 0.76 CYP2A6 (0.42) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2

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-20230180812-A1 MEAT SUBSTITUTES PRODUCED IN PLANT-BASED SYSTEMS AND METHOD THEREOF BARBARINI ALEJANDRO (AR) 2023-06-15 US disclosed