SCHEMBL21034069

SCHEMBL21034069

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.46
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PLIN1 O60240 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 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
SCHEMBL30040141 1.00 APP (0.46) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21033804 0.95 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL30039147 0.95 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21033806 0.80 APP (0.46) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL30038634 0.80 APP (0.46) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21034067 0.76 MEN1 (0.48) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL30038630 0.76 MEN1 (0.48) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3443490 0.75 SIGMAR1 (0.43) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL13107316 0.75 SIGMAR1 (0.43) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL290573 0.75 OPRM1 (0.46) MEN1KMT2APOLBALDH1A1SIGMAR1

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