SCHEMBL28600640

SCHEMBL28600640

COC(=O)COc1ccc(C=O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTGS2 P35354 1/20 0.48
ATM Q13315 1/20 0.47
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCL1 Q07820 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL17967919 0.84 MCL1 (0.62) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL7682529 0.84 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL7682886 0.84 PTGS2 (0.54) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL17967806 0.84 BCHE (0.48) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL584257 0.82 ATM (0.65) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL5527880 0.82 ERN1 (0.61) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL24456083 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL1249146 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL5522283 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL14521043 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10MAPTMEN1

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
CN-107567445-B 2-phenyl-3H-imidazo [4,5-B ] pyridine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity 坎塞拉有限公司 2021-06-29 CN disclosed