SCHEMBL21034079

SCHEMBL21034079

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
PLIN1 O60240 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
PLIN5 Q00G26 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
GAA P10253 3/20 0.49
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 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
SCHEMBL16672585 0.84 CNR2 (0.49) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL3533288 0.79 MEN1 (0.49) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL21034080 0.79 KMT2A (0.47) MEN1KMT2ALMNAPOLBGAA
SCHEMBL14874379 0.76 MEN1 (0.44) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL17102000 0.75 KMT2A (0.49) MEN1KMT2ALMNAPOLBGAA
SCHEMBL21034081 0.75 MEN1 (0.43) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL314187 0.75 MEN1 (0.43) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL15974376 0.75 MEN1 (0.43) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL9275981 0.74 MAPT (0.50) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL30039482 0.74 MAPT (0.50) MEN1KMT2AMAPTPLIN1LMNA

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 5 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
CN-110452253-A Mcl-1 selective depressant and its preparation and use CENTAURUS BIOPHARMA CO LTD 2019-11-15 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
CN-109824690-A Mcl-1 selective depressant and its preparation and use 北京赛林泰医药技术有限公司 2019-05-31 CN disclosed