SCHEMBL11076398

SCHEMBL11076398

Cc1c(Cl)ccc(OC(C(=O)Nc2ccccc2)C(C)C)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.47
RORC P51449 2/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
XIAP P98170 1/20 0.41
PKM P14618 1/20 0.40
HTR1E P28566 1/20 0.40
HTT P42858 1/20 0.40
S1PR3 Q99500 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3062871 0.88 KDM4E (0.52) KLK7ALDH1A1LMNAGAAMEN1
SCHEMBL5482698 0.88 KDM4E (0.52) KLK7ALDH1A1LMNAGAAMEN1
SCHEMBL55118 0.88 KDM4E (0.52) KLK7ALDH1A1LMNAGAAMEN1
SCHEMBL7654105 0.88 KDM4E (0.52) KLK7ALDH1A1LMNAGAAMEN1
SCHEMBL11072526 0.84 KLK7 (0.46) KLK7RORCALDH1A1LMNAMAPT
SCHEMBL11072080 0.82 KLK7 (0.50) KLK7ALDH1A1LMNAMAPTGAA
SCHEMBL11076748 0.80 KLK7 (0.47) KLK7RORCALDH1A1LMNAMAPT
SCHEMBL11077507 0.79 KDM4E (0.53) KLK7ALDH1A1LMNAGAAMEN1
SCHEMBL8465568 0.79 KDM4E (0.53) KLK7ALDH1A1LMNAGAAMEN1
SCHEMBL11086642 0.78 HDAC3 (0.44) RORCALDH1A1MEN1KMT2A

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-4465507-A Herbicidal acetanilides MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1984-08-14 US disclosed