SCHEMBL7939757

SCHEMBL7939757

[CH2]c1ccc(OCC)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
TUBB1 Q9H4B7 1/20 0.43
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL16951863 0.84 HTT (0.49) KDM1AL3MBTL1TUBB1HTTKDM4E
SCHEMBL309719 0.81 KDM4E (0.46) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL9484876 0.79 L3MBTL1 (0.53) KDM1AL3MBTL1TUBB1HTTKDM4E
SCHEMBL1547577 0.79 L3MBTL1 (0.53) KDM1AL3MBTL1TUBB1KCNQ3KCNQ2
SCHEMBL130839 0.78 KDM1A (0.51) KDM1AL3MBTL1TUBB1KCNQ3KCNQ2
SCHEMBL2053269 0.78 NQO1 (0.52) KDM1AL3MBTL1TUBB1KDM4EMEN1
SCHEMBL16959303 0.78 ESR1 (0.46) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL11493682 0.78 MAPT (0.51) L3MBTL1HTTKDM4EMAPTGAA
SCHEMBL18315618 0.77 ALDH1A1 (0.44) L3MBTL1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL318031 0.77 RAB9A (0.50) KDM1ATUBB1HTTALDH1A1MEN1

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed