SCHEMBL11604284

SCHEMBL11604284

O=C(NC(O)C(Cl)(Cl)CCl)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.53
HPGD P15428 1/20 0.51
TRPA1 O75762 5/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 2/20 0.46
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAOB P27338 1/20 0.42
CA2 P00918 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL4682432 0.83 HPGD (0.72) KDM4EGAAHTTHPGDTRPA1
SCHEMBL4683894 0.78 HTT (0.53) KDM4EGAAHTTHPGDTRPA1
SCHEMBL11600306 0.75 POLB (0.50) HPGDALDH1A1POLBCYP1A2GPR139
SCHEMBL8356762 0.73 KDM4E (0.60) KDM4EGAAHTTALDH1A1LMNA
SCHEMBL11602469 0.73 GAA (0.48) GAAALDH1A1LMNACYP1A2
SCHEMBL4679635 0.73 TRPA1 (0.58) KDM4EGAAHTTHPGDTRPA1
SCHEMBL1163995 0.72 HPGD (0.53) KDM4EHTTHPGDTRPA1ALDH1A1
SCHEMBL5194062 0.72 HTT (0.58) KDM4EGAAHTTTRPA1ALDH1A1
SCHEMBL4678036 0.71 TRPA1 (0.56) KDM4EGAAHTTHPGDTRPA1
SCHEMBL11605736 0.71 ALDH1A1 (0.54) KDM4EGAAHPGDALDH1A1LMNA

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-4087533-A FUNGICIDES CELAMERCK GMBH & CO., KG (DT) 1978-05-02 US disclosed