SCHEMBL16902835

SCHEMBL16902835

Oc1cccc(COCOc2cccc(O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.51
DRD2 P14416 2/20 0.49
DRD4 P21917 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
ENPP2 Q13822 1/20 0.46
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
MAOB P27338 1/20 0.43
DRD1 P21728 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
SCHEMBL11019942 0.91 DRD2 (0.55) APPDRD2DRD4ADRA1DADRA1A
SCHEMBL28897624 0.83 ENPP2 (0.54) DRD2DRD4DRD3GABRA1GABRG2
SCHEMBL10782254 0.82 CHRNB2 (0.58) APPDRD2DRD4ADRA1DADRA1A
SCHEMBL21633693 0.81 DRD2 (0.54) APPDRD2DRD4ADRA1DADRA1A
SCHEMBL16902885 0.81 TSHR (0.51) MAOBF2
SCHEMBL23975528 0.80 CHRNB2 (0.53) APPDRD2DRD4ADRA1DADRA1A
SCHEMBL13192629 0.79 LMNA (0.62) APPDRD2DRD4ADRA1DADRA1A
SCHEMBL755802 0.79 CHRNB2 (0.51) APPDRD2DRD4ADRA1DADRA1A
SCHEMBL15723546 0.77 TSHR (0.48) MAOBCYP1A2F2
SCHEMBL6087766 0.76 CHRNB2 (0.53) APPDRD2DRD4ADRA1DADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed