SCHEMBL11040290

SCHEMBL11040290

CC(=O)Oc1cc(N2CCCCC2)c(Cl)cc1C(C)C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A3 P47895 2/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.34
S1PR1 P21453 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
KMO O15229 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
HTT P42858 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
SCHEMBL11040186 0.83 KDM4E (0.40) KDM4ERECQLALDH1A3ALDH1A1MAPT
SCHEMBL11037859 0.81 KDM4E (0.39) KDM4ERECQLALDH1A3ALDH1A1MAPT
SCHEMBL11037856 0.81 KDM4E (0.39) KDM4ERECQLALDH1A1MAPTNPSR1
SCHEMBL11039854 0.80 KDM4E (0.37) KDM4ERECQLALDH1A1MAPTNPSR1
SCHEMBL11043402 0.77 TSHR (0.43) KDM4ERECQLALDH1A3ALDH1A1MAPT
SCHEMBL11040385 0.77 HPGD (0.39) KDM4EALDH1A3ALDH1A1MAPTMEN1
SCHEMBL11081558 0.75 ALDH1A3 (0.37) KDM4ERECQLALDH1A3ALDH1A1MAPT
SCHEMBL11043453 0.75 MEN1 (0.41) KDM4ERECQLALDH1A3ALDH1A1MAPT
SCHEMBL11047295 0.74 S1PR1 (0.39) KDM4ERECQLALDH1A3ALDH1A1MAPT
SCHEMBL11047293 0.74 S1PR1 (0.39) KDM4ERECQLALDH1A3ALDH1A1MAPT

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