SCHEMBL11086301

SCHEMBL11086301

CCN(CC)c1ccc(NC(=O)C(C)Oc2cc(C)c(Cl)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 5/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
HPGD P15428 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
GPR35 Q9HC97 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL11079552 0.83 KDM4E (0.55) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL11079224 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL11083153 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL11076222 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL11085000 0.81 MEN1 (0.56) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL11072073 0.78 PKM (0.64) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL11074421 0.77 PKM (0.48) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL11081258 0.76 KDM4E (0.52) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL11072550 0.75 PKM (0.55) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL11073221 0.74 PKM (0.54) ALDH1A1KDM4EGAAMAPTLMNA

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