SCHEMBL22650285

SCHEMBL22650285

O=CCOc1ccccc1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HRH1 P35367 13/20 0.53
DRD1 P21728 5/20 0.53
DRD2 P14416 4/20 0.53
DRD4 P21917 4/20 0.53
DRD5 P21918 4/20 0.53
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD3 P35462 4/20 0.50
LMNA P02545 1/20 0.50
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48

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
SCHEMBL28870119 0.81 PTGER1 (0.44) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL2557802 0.79 L3MBTL1 (0.56) HPGDSMN1; SMN2TSHRL3MBTL1
SCHEMBL8523471 0.79 HRH1 (0.54) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL8584676 0.78 CCNB2 (0.57) SMN1; SMN2DRD2L3MBTL1HTR1AADRA1D
SCHEMBL21538649 0.78 HPGD (0.50) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL10601013 0.77 DRD2 (0.69) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL4003173 0.77 DRD2 (0.54) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL19733216 0.76 HPGD (0.67) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL12129191 0.76 DRD1 (0.63) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL11349591 0.76 HPGD (0.61) HPGDSMN1; SMN2HRH1DRD1DRD2

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-2020225330-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT HAMBURG (DE) 2020-11-12 WO disclosed