SCHEMBL9763812

SCHEMBL9763812

c1ccc(Cc2cccc(Oc3cccc(Cc4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH1 P35367 7/20 0.42
DRD1 P21728 5/20 0.42
DRD2 P14416 4/20 0.42
DRD4 P21917 4/20 0.42
DRD5 P21918 4/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD3 P35462 4/20 0.41
LMNA P02545 1/20 0.41
HTR2A P28223 1/20 0.40
CALM1 P0DP23 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL246372 0.80 HPGD (0.58) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL19172033 0.79 MAPT (0.42) HPGDSMN1; SMN2CYP1A2CYP2C9TSHR
SCHEMBL7033288 0.79 HPGD (0.49) HPGDSMN1; SMN2HRH1DRD1DRD2
Water SCHEMBL28646770 0.78 HPGD (0.56) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL7756044 0.77 HTR1A (0.41) DRD2TSHRL3MBTL1HTR1A
SCHEMBL15940347 0.77 HPGD (0.47) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL50088 0.77 HTR2A (0.42) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL17720782 0.77 HPGD (0.48) HPGDHRH1L3MBTL1HTR1AADRA1D
SCHEMBL9233760 0.76 L3MBTL1 (0.48) HPGDSMN1; SMN2HRH1DRD1DRD2
SCHEMBL8056668 0.76 BCL2 (0.53) HPGDCYP3A4HTR2ACALM1BCL2

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-5045109-A Thiolcarbamate compound, emulsion with nonionic and anionic surfactants KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-09-03 US disclosed