SCHEMBL28773698

SCHEMBL28773698

O=C1C=C(c2c[nH]c3ccccc23)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALOX15 P16050 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 2/20 0.50
DRD2 P14416 1/20 0.50
HTR2C P28335 1/20 0.50
SIRT2 Q8IXJ6 2/20 0.49
PRKD3 O94806 1/20 0.49
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
ABL1 P00519 1/20 0.49
PRKCG P05129 1/20 0.49
PRKCB P05771 1/20 0.49
CDK1 P06493 1/20 0.49
PIM1 P11309 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
PRKCA P17252 1/20 0.49
PRKACA P17612 1/20 0.49

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
SCHEMBL28773762 0.80 CYP2C9 (0.43) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL29661942 0.80 SLC6A4 (0.51) KDM4EALDH1A1DRD2HTR2CSLC6A4
SCHEMBL28773711 0.80 SLC6A4 (0.51) KDM4EALDH1A1DRD2HTR2CSLC6A4
SCHEMBL28773725 0.80 ALDH1A1 (0.43) ALDH1A1SLC6A4
SCHEMBL29661876 0.80 CYP2C9 (0.43) KDM4EALDH1A1MAPTHSD17B10HTR2C
Ethylene SCHEMBL7481976 0.75 DRD2 (0.57) KDM4EALOX15ALDH1A1MAPTHSD17B10
SCHEMBL28773720 0.75 HPGD (0.47) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL29661803 0.75 HPGD (0.47) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL6296691 0.74 DRD2 (0.60) KDM4EALOX15ALDH1A1MAPTHSD17B10
Ethylene SCHEMBL7259929 0.74 DRD2 (0.56) KDM4EALOX15ALDH1A1MAPTHSD17B10

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
CN-110117246-B Preparation method of 3-position indolylated cyclohexenone compound 山西大学 2022-05-31 CN disclosed