SCHEMBL11037859

SCHEMBL11037859

CC(=O)OCC(C)c1cc(Cl)c(N2CCCCC2)cc1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 2/20 0.35
S1PR1 P21453 2/20 0.33
PLAU P00749 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
CHRM1 P11229 1/20 0.32
PTGS1 P23219 1/20 0.32
KCNQ2 O43526 1/20 0.32
ACACB O00763 1/20 0.32
ALDH1A3 P47895 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
SCHEMBL11037856 0.91 KDM4E (0.39) KDM4ERECQLNPSR1S1PR1PLAU
SCHEMBL11040186 0.88 KDM4E (0.40) KDM4ERECQLNPSR1S1PR1MEN1
SCHEMBL11040290 0.81 KDM4E (0.40) KDM4ERECQLNPSR1S1PR1MEN1
SCHEMBL11039854 0.80 KDM4E (0.37) KDM4ERECQLNPSR1PLAUMEN1
SCHEMBL11043453 0.76 MEN1 (0.41) KDM4ERECQLS1PR1MEN1KMT2A
SCHEMBL11043402 0.75 TSHR (0.43) KDM4ERECQLS1PR1MEN1KMT2A
SCHEMBL11081558 0.74 ALDH1A3 (0.37) KDM4ERECQLNPSR1S1PR1MEN1
SCHEMBL11167920 0.74 CHRM1 (0.40) KDM4ERECQLMEN1KMT2AGAA
SCHEMBL11042050 0.73 S1PR1 (0.37) KDM4ERECQLS1PR1MEN1KMT2A
SCHEMBL11165251 0.72 MAPT (0.41) KDM4ENPSR1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP claimed
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP disclosed