SCHEMBL21633693

SCHEMBL21633693

Oc1cccc(OCOc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
DRD3 P35462 1/20 0.54
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
APP P05067 1/20 0.53
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
CYP3A4 P08684 2/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
CA12 O43570 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL10782254 0.94 CHRNB2 (0.58) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL755802 0.90 CHRNB2 (0.51) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL10479366 0.88 DRD2 (0.63) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL11019942 0.87 DRD2 (0.55) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL23975528 0.82 CHRNB2 (0.53) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL29548398 0.82 APP (0.71) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL384725 0.82 APP (0.71) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL3420663 0.82 CHRNB2 (0.56) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL16902835 0.81 APP (0.51) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL1470185 0.80 CHRNB2 (0.69) DRD2DRD4ADRA1DADRA1AADRA1B

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-2020022785-A1 NOVEL AUTOPHAGY-TARGETING CHIMERA (AUTOTAC) COMPOUND, AND COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING DISEASES THROUGH TARGET PROTEIN DEGRADATION COMPRISING SAME 주식회사 프로텍바이오 2020-01-30 WO disclosed