SCHEMBL11110221

SCHEMBL11110221

Cc1ccc(Oc2cccc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
ADORA2A P29274 2/20 0.51
KCNA3 P22001 1/20 0.50
HTR2A P28223 2/20 0.45
SLC6A4 P31645 2/20 0.45
ELANE P08246 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
EGFR P00533 3/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
PABPC1 P11940 1/20 0.44
NSD2 O96028 1/20 0.44
MEN1 O00255 3/20 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
SCHEMBL21816994 0.87 CES2 (0.53) CES2CES1ADORA2AKCNA3SMN1; SMN2
SCHEMBL1764840 0.86 ADORA2A (0.66) CES2CES1ADORA2AKCNA3SMN1; SMN2
SCHEMBL11581660 0.86 ADORA2A (0.51) CES2CES1ADORA2ASMN1; SMN2LMNA
SCHEMBL11581548 0.85 ADORA2A (0.50) CES2CES1ADORA2AELANESMN1; SMN2
SCHEMBL11108532 0.84 CES2 (0.53) CES2CES1ADORA2AKCNA3HTR2A
SCHEMBL11855727 0.84 ADORA2A (0.51) ADORA2AKCNA3ELANESMN1; SMN2LMNA
SCHEMBL10927218 0.83 ADORA2A (0.60) CES2CES1ADORA2AKCNA3SMN1; SMN2
SCHEMBL6415480 0.82 KCNA3 (0.57) ADORA2AKCNA3SMN1; SMN2LMNARAB9A
SCHEMBL10583717 0.81 ADORA2A (0.55) CES2CES1ADORA2AKCNA3ELANE
SCHEMBL10546429 0.81 ADORA2A (0.58) CES2CES1ADORA2AKCNA3HTR2A

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-4451278-A 1-Hydroxyanthraquinone aquatic herbicide GAF CORPORATION (US) 1984-05-29 US disclosed