SCHEMBL9633714

SCHEMBL9633714

CCOCCCC(C)N(C(=O)CCl)c1c(C)cccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 5/20 0.50
TP53 P04637 4/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
NR1I2 O75469 1/20 0.39
RORC P51449 1/20 0.38
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.34
PTPN1 P18031 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11569945 0.84 TP53 (0.54) ALDH1A1TDP1TP53CYP3A4THRB
SCHEMBL7274378 0.84 ALDH1A1 (0.47) ALDH1A1TDP1TP53CYP3A4THRB
SCHEMBL9723347 0.81 ALDH1A1 (0.51) ALDH1A1TDP1TP53CYP3A4THRB
SCHEMBL6880410 0.80 THRB (0.67) ALDH1A1TDP1TP53CYP3A4THRB
SCHEMBL6880404 0.80 THRB (0.67) ALDH1A1TDP1TP53CYP3A4THRB
SCHEMBL9460170 0.79 TDP1 (0.58) ALDH1A1TDP1TP53CYP3A4THRB
SCHEMBL10412559 0.78 ALDH1A1 (0.49) ALDH1A1TDP1TP53CYP3A4THRB
SCHEMBL16998572 0.77 TP53 (0.53) ALDH1A1TDP1TP53CYP3A4THRB
SCHEMBL15944472 0.77 TP53 (0.53) ALDH1A1TDP1TP53CYP3A4THRB
SCHEMBL9633711 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TP53CYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281521-B1 HERBICIDAL COMPOSITIONS CIBA-GEIGY AG (CH) 1992-07-08 EP claimed
EP-0357557-A2 Synergistic mixture CIBA-GEIGY AG (CH) 1990-03-07 EP claimed
EP-0281521-A2 Herbicidal compositions CIBA-GEIGY AG (CH) 1988-09-07 EP claimed
EP-0281521-B1 HERBICIDAL COMPOSITIONS CIBA-GEIGY AG (CH) 1992-07-08 EP disclosed
US-5006161-A N-chloroacetylcyclohezeneamine or a mixture with chloroacetanilide CIBA-GEIGY CORPORATION (US) 1991-04-09 US disclosed
EP-0357557-A2 Synergistic mixture CIBA-GEIGY AG (CH) 1990-03-07 EP disclosed
EP-0281521-A2 Herbicidal compositions CIBA-GEIGY AG (CH) 1988-09-07 EP disclosed
US-4523947-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1985-06-18 US disclosed