SCHEMBL8901780

SCHEMBL8901780

CC[C@@]1(OC=O)CC2=C(C(=O)c3c(cc4ccccc4c3OC(C)=O)C2=O)[C@H](O)O1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9755766 0.97 ADORA3 (0.31) ADORA3ADORA2AADORA1ELANEKDM4E
SCHEMBL8903524 0.85 ADORA3 (0.33) ADORA3ADORA2AADORA1ELANEKDM4E
SCHEMBL8903534 0.82 ADORA3 (0.33) ADORA3ADORA2AADORA1ELANEKDM4E
SCHEMBL8901731 0.79 ADORA3 (0.35) ADORA3ADORA2AADORA1ELANEKDM4E
SCHEMBL9755801 0.78 KDM4E (0.34) ADORA3ADORA2AADORA1ELANEKDM4E
SCHEMBL9521733 0.76 KDM4E (0.33) ADORA3ADORA2AADORA1ELANEKDM4E
SCHEMBL8903519 0.75 NR1D1 (0.33) ADORA3ADORA2AADORA1ELANEKDM4E
SCHEMBL8903221 0.75 NR1D1 (0.33) ADORA3ADORA2AADORA1ELANEKDM4E
SCHEMBL9522381 0.74 KDM4E (0.34) ADORA3ADORA2AADORA1ELANEKDM4E
SCHEMBL8901775 0.74 ADORA3 (0.30) ADORA3ADORA2AADORA1

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-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed