SCHEMBL11277533

SCHEMBL11277533

CCCC(=O)Oc1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
HTT P42858 3/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NLRP3 Q96P20 1/20 0.40
F2R P25116 2/20 0.39
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
ABCB11 O95342 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27450909 0.89 SMN1; SMN2 (0.42) KMT2ABCL9CTNNB1ALOX15ALDH1A1
Hydrochloric Acid SCHEMBL28401106 0.87 ABCB11 (0.40) KMT2ABCL9CTNNB1HTTALOX15
SCHEMBL29152244 0.86 POLM (0.50) KMT2AHTTALOX15ALDH1A1KDM4E
SCHEMBL2898218 0.85 KMT2A (0.48) KMT2AHTTALOX15ALDH1A1NLRP3
SCHEMBL24636722 0.83 KMT2A (0.47) KMT2AHTTALDH1A1NLRP3PTPN7
SCHEMBL29372461 0.82 CNR2 (0.38) KMT2ABCL9CTNNB1HTTALDH1A1
SCHEMBL9716061 0.81 KMT2A (0.46) KMT2AHTTALDH1A1NLRP3PTPN7
SCHEMBL4573844 0.81 KMT2A (0.45) KMT2ABCL9CTNNB1HTTALOX15
SCHEMBL15558766 0.80 KMT2A (0.56) KMT2AHTTALOX15ALDH1A1KDM4E
SCHEMBL7496459 0.80 MAPT (0.47) HTTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4349378-A Compounds useful as pesticides FBC LIMITED (GB) 1982-09-14 US disclosed
US-4185992-A Imidazole derivatives MAY & BAKER LIMITED (GB) 1980-01-29 US disclosed
EP-0002881-A1 5-Isoxazolylurea derivatives, their preparation, their use and compositions containing them FISONS plc (GB) 1979-07-11 EP disclosed