SCHEMBL7361916

SCHEMBL7361916

COc1c(O)c(C)c(CCO)c(O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.46
IMPDH1 P20839 1/20 0.46
ALOX5 P09917 4/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IGF1R P08069 1/20 0.31
SRC P12931 1/20 0.31
AXL P30530 1/20 0.31
PTK2 Q05397 1/20 0.31
AURKB Q96GD4 1/20 0.31
ALK Q9UM73 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL8293476 0.90 TNKS2 (0.41) IMPDH2IMPDH1ALOX5CA2CA4
SCHEMBL7323576 0.88 ALOX5 (0.38) IMPDH2IMPDH1ALOX5TDP1TNKS2
SCHEMBL7413599 0.86 ALOX5 (0.41) IMPDH2IMPDH1ALOX5TDP1TNKS2
SCHEMBL1241214 0.86 ALOX5 (0.41) IMPDH2IMPDH1ALOX5TDP1TNKS2
SCHEMBL7325280 0.86 ALOX5 (0.41) IMPDH2IMPDH1ALOX5TDP1TNKS2
SCHEMBL13359764 0.83 ALOX5 (0.40) IMPDH2IMPDH1ALOX5TDP1IGF1R
SCHEMBL17431561 0.80 IMPDH2 (0.37) IMPDH2IMPDH1ALOX5CA2CA4
SCHEMBL27633903 0.80 ALOX5 (0.53) ALOX5TDP1
SCHEMBL23909143 0.79 ALOX5 (0.37) IMPDH2IMPDH1ALOX5
SCHEMBL23888077 0.79 ALOX5 (0.55) ALOX5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4831265-A ANTIFIBROTIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-16 US disclosed
EP-0058057-A1 Method of producing quinone derivatives Takeda Chemical Industries, Ltd. (JP) 1982-08-18 EP disclosed