SCHEMBL11511981

SCHEMBL11511981

CCOC(=O)C(C)Oc1ccc(Br)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 4/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MAPK1 P28482 3/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL21095341 0.86 TSHR (0.48) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL15897507 0.85 ALDH1A1 (0.49) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL13903647 0.84 PTGDR2 (0.50) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL4776721 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL13903645 0.83 PTGDR2 (0.51) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL13903648 0.83 ALDH1A1 (0.47) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL23368020 0.83 TSHR (0.67) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL18330954 0.83 TSHR (0.67) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL13284489 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3597271 0.82 GAA (0.47) KDM4EALDH1A1HPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169720-A 2-[4-(4-Chlorophenoxymethyl)-phenoxy]-propionic acid compounds as herbicides CELAMERCK GMBH & CO. KG (DE) 1979-10-02 US disclosed