SCHEMBL31162811

SCHEMBL31162811

COc1cccc2c1COC2=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
CYP3A4 P08684 1/20 0.51
PDE4D Q08499 1/20 0.49
CYP19A1 P11511 3/20 0.48
MAOB P27338 2/20 0.47
MIF P14174 1/20 0.47
MAPK14 Q16539 3/20 0.46
TOP1 P11387 1/20 0.44
KCNJ1 P48048 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL78687 1.00 ACHE (0.53) ACHECYP3A4PDE4DCYP19A1MAOB
SCHEMBL16110979 0.81 HTR2A (0.44) ACHEMAOBKCNJ1KDM4EALDH1A1
SCHEMBL31119631 0.81 HTR2A (0.44) ACHEMAOBKCNJ1KDM4EALDH1A1
SCHEMBL16111006 0.80 TIPARP (0.41) CYP3A4PDE4DMAOBKCNJ1
SCHEMBL7632703 0.80 PTGS2 (0.47) ACHEPDE4DMAOBKCNJ1KDM4E
SCHEMBL4110681 0.79 KDM4E (0.57) ACHECYP3A4PDE4DCYP19A1MAOB
SCHEMBL6607183 0.77 PDE4D (0.46) ACHECYP3A4PDE4DCYP19A1MAOB
SCHEMBL27988062 0.76 ALOX5 (0.56) CYP3A4CYP19A1MAOBLMNAALDH1A1
SCHEMBL2587484 0.76 PDE4D (0.48) ACHECYP3A4PDE4DCYP19A1MAOB
SCHEMBL2591157 0.76 HDAC4 (0.51) ACHECYP3A4PDE4DMAOBKDM4E

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-2024197354-A1 COMBINATION OF MICROBES FOR USE IN AGRICULTURE New Edge Microbials Pty Ltd (AU) 2024-10-03 WO disclosed