SCHEMBL21034081

SCHEMBL21034081

CCOC(=O)C(O)C(C)(C)c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
PLIN1 O60240 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIN1 Q13526 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL21033758 0.84 ATM (0.44) MEN1KMT2ALMNAPLIN1POLB
SCHEMBL30038752 0.84 ATM (0.44) MEN1KMT2ALMNAPLIN1POLB
SCHEMBL16672585 0.77 CNR2 (0.49) MEN1KMT2ALMNAPLIN1POLB
SCHEMBL9369385 0.76 PIN1 (0.47) MEN1KMT2APOLBCYP1A2SMN1; SMN2
SCHEMBL21034066 0.76 KMT2A (0.49) MEN1KMT2ALMNAPLIN1POLB
SCHEMBL14874522 0.75 POLB (0.44) MEN1KMT2ALMNAPLIN1POLB
SCHEMBL14874379 0.75 MEN1 (0.44) MEN1KMT2ALMNAPLIN1POLB
SCHEMBL21034079 0.75 MEN1 (0.51) MEN1KMT2ALMNAPLIN1POLB
SCHEMBL14874397 0.74 KMT2A (0.47) MEN1KMT2ALMNAPLIN1POLB
SCHEMBL15974376 0.73 MEN1 (0.43) MEN1KMT2ALMNAPLIN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111372936-B Mcl-1 selective inhibitors, their preparation and use 北京赛林泰医药技术有限公司 2022-12-02 CN disclosed
CN-111372936-A Mcl-1 selective inhibitors, their preparation and use 北京赛林泰医药技术有限公司 2020-07-03 CN disclosed
WO-2019101144-A1 SELECTIVE MCL-1 INHIBITOR AND PREPARATION AND USE THEREOF 北京赛林泰医药技术有限公司 2019-05-31 WO disclosed