SCHEMBL7220449

SCHEMBL7220449

CC(=O)OC1OC(=O)c2cc3cccc(C=O)c3cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.34
ERN1 O75460 2/20 0.33
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 1/20 0.32
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
TLR6 Q9Y2C9 1/20 0.31
CYP1A1 P04798 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
APEX1 P27695 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL7220437 0.82 PTPN1 (0.40) POLBATMADORA3ADORA2AADORA1
SCHEMBL7215256 0.78 APEX1 (0.33) ATMERN1APEX1
SCHEMBL14950486 0.72 POLB (0.56) POLBKDM4EHIF1A
SCHEMBL10310217 0.72 POLB (0.56) POLBKDM4EHIF1A
SCHEMBL10914209 0.71 POLB (0.38) POLBATMCYP1A1APEX1KDM4E
SCHEMBL10918010 0.71 ATM (0.46) POLBATMCYP1A1MTNR1AMTNR1B
SCHEMBL10920007 0.70 ATM (0.39) POLBATMCYP1A1APEX1KDM4E
SCHEMBL10917251 0.70 CYP1A1 (0.45) POLBATMCYP1A1KDM4EHIF1A
SCHEMBL10916878 0.70 KDM4E (0.40) POLBATMCYP1A1KDM4EHIF1A
SCHEMBL10919523 0.69 POLB (0.37) POLBATMCYP1A1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576766-B1 Competitive binding of phosphotyrosine-containing protein; veterinary medicine ARIAD PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1064289-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2001-01-03 EP disclosed
WO-1999047529-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-09-23 WO disclosed