SCHEMBL16635653

SCHEMBL16635653

CSc1ccc(OC(=O)OCC(C)CCl)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA2 P00918 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RCE1 Q9Y256 1/20 0.34
HTR2A P28223 1/20 0.34
ELANE P08246 1/20 0.34
ACACB O00763 2/20 0.34
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
HPGD P15428 1/20 0.33
SLC6A4 P31645 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BMP1 P13497 1/20 0.32

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
SCHEMBL16703049 0.86 ELANE (0.41) MAPTKDM4ELMNAPOLBNPSR1
SCHEMBL3227056 0.79 MAPT (0.36) MAPTKDM4ELMNAPOLBNPSR1
SCHEMBL2289818 0.77 ELANE (0.42) MAPTKDM4ELMNAPOLBNPSR1
SCHEMBL9351782 0.76 MEN1 (0.50) MAPTKDM4ELMNAPOLBNPSR1
SCHEMBL9355695 0.75 CYP11B1 (0.36) MAPTKDM4ELMNAPOLBNPSR1
SCHEMBL20537070 0.74 KMT2A (0.46) MAPTLMNANPSR1ALDH1A1ACACB
SCHEMBL2287443 0.74 AKR1C3 (0.37) MAPTKDM4ELMNAPOLBNPSR1
SCHEMBL3239407 0.73 ELANE (0.40) MAPTKDM4ELMNAPOLBNPSR1
SCHEMBL10527711 0.73 ALDH1A1 (0.46) MAPTKDM4ELMNAPOLBNPSR1
SCHEMBL16702787 0.73 MEN1 (0.39) MAPTKDM4ELMNAPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066091-A1 NMDA ANTAGONIST PRODRUGS Astrazeneca AB (SE) 2016-09-14 EP disclosed
EP-3054991-A1 PROTEIN-POLYMER-DRUG CONJUGATES Mersana Therapeutics, Inc. (US) 2016-08-17 EP disclosed
EP-3054992-A1 PROTEIN-POLYMER-DRUG CONJUGATES Asana BioSciences, LLC (US) 2016-08-17 EP disclosed
CN-105683180-A Nmda antagonist prodrugs 阿斯利康(瑞典)有限公司 2016-06-15 CN disclosed
WO-2015067923-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2015-05-14 WO disclosed
WO-2015054659-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2015-04-16 WO disclosed
WO-2015054669-A1 PROTEIN-POLYMER-DRUG CONJUGATES ASANA BIOSCIENCES, LLC (US) 2015-04-16 WO disclosed