SCHEMBL21034067

SCHEMBL21034067

CCOC(=O)C(=O)C1(c2ccccc2OC)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
PLIN1 O60240 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
PLIN5 Q00G26 1/20 0.48
ABHD5 Q8WTS1 1/20 0.48
APP P05067 3/20 0.47
GAA P10253 1/20 0.46
PKM P14618 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL30038630 1.00 MEN1 (0.48) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL21034823 0.96 MEN1 (0.49) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL30039450 0.96 MEN1 (0.49) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL20790150 0.81 OPRM1 (0.50) MEN1KMT2AMAPTPLIN1LMNA
SCHEMBL21034068 0.81 L3MBTL1 (0.49) MEN1KMT2ALMNAPOLBAPP
SCHEMBL30039438 0.81 L3MBTL1 (0.49) MEN1KMT2ALMNAPOLBAPP
SCHEMBL3443849 0.77 L3MBTL1 (0.51) MEN1KMT2ALMNAPOLBAPP
SCHEMBL447843 0.76 LMNA (0.55) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL8110630 0.76 SIGMAR1 (0.47) MEN1KMT2ALMNAAPPPSEN1
SCHEMBL21034824 0.76 SIGMAR1 (0.47) MEN1KMT2ALMNAPOLBAPP

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