SCHEMBL21864643

SCHEMBL21864643

CC(=O)c1ccc2oc(=O)cc(-c3ccc(OCCOCCOC(C)C)cc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.42
ABCB1 P08183 2/20 0.42
ABCC1 P33527 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
USP2 O75604 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOD2 Q9HC29 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL21864575 0.90 HPGD (0.46) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL21864738 0.78 NR4A2 (0.38) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL21864570 0.76 CHEK2 (0.47) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL21864684 0.69 CHEK2 (0.41) CYP2C9RARB
SCHEMBL21830613 0.69 HPGD (0.37) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL21864574 0.67 PARP15 (0.56) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL8672706 0.67 L3MBTL1 (0.78) HPGDALDH1A1LMNARAB9APOLB
SCHEMBL15842690 0.67 NPC1 (0.56) ALDH1A1KDM4EKMT2ARAB9ANPC1
SCHEMBL8114039 0.67 PIM1 (0.58) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL21864737 0.66 NOD2 (0.44) HPGDALDH1A1KDM4ELMNAKMT2A

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-2020071550-A1 CDK8 INHIBITOR AND USE OF SAME 京都薬品工業株式会社 2020-04-09 WO disclosed