SCHEMBL22906145

SCHEMBL22906145

COCCOCCOc1c(C)cc(CCc2c(O)c(C)cc(C)c2C=O)c(C=O)c1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.32
SRC P12931 1/20 0.32
AXL P30530 1/20 0.32
PTK2 Q05397 1/20 0.32
AURKB Q96GD4 1/20 0.32
ALK Q9UM73 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.30
PTGS1 P23219 1/20 0.30
ACP1 P24666 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
SCHEMBL22906090 0.81 ALDH1A1 (0.40) IGF1RSRCAXLPTK2AURKB
SCHEMBL24982920 0.81 ALDH1A1 (0.40) IGF1RSRCAXLPTK2AURKB
SCHEMBL25836799 0.72 HTR1A (0.41) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23268467 0.70 TDP1 (0.36) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23268458 0.70 TDP1 (0.36) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL26225294 0.68 MAPT (0.38) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL20906675 0.67 GAA (0.37) SRCMEN1ALDH1A1POLBHPGD
SCHEMBL22897420 0.67 TDP1 (0.34) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL22906085 0.64 ALDH1A1 (0.38) SRCMEN1ALDH1A1POLBMAPT
SCHEMBL22897454 0.64 SRC (0.44) SRCMEN1ALDH1A1POLBMAPT

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-2021009734-A1 RADIOPAQUE POLYMERS BIOCOMPATIBLES UK LIMITED (GB) 2021-01-21 WO disclosed