SCHEMBL9212304

SCHEMBL9212304

CCOCCN(C(=O)CCl)c1c(C)cccc1CC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.76
ALDH1A1 P00352 6/20 0.76
TDP1 Q9NUW8 3/20 0.76
CYP3A4 P08684 1/20 0.76
NR1I2 O75469 1/20 0.72
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.45
TSHR P16473 2/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PAX8 Q06710 3/20 0.39
GPX4 P36969 1/20 0.39
JAK2 O60674 2/20 0.37
ESR1 P03372 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NLRP3 Q96P20 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL9214429 0.92 NR1I2 (0.85) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9207458 0.92 NR1I2 (0.84) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL10414183 0.92 ALDH1A1 (0.63) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9210625 0.90 TP53 (0.68) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9210761 0.88 ALDH1A1 (0.59) TP53ALDH1A1TDP1CYP3A4NR1I2
Acetochlor SCHEMBL18115344 0.87 TP53 (0.80) TP53ALDH1A1TDP1CYP3A4NR1I2
Acetochlor SCHEMBL29366709 0.86 TP53 (1.00) TP53ALDH1A1TDP1CYP3A4NR1I2
Acetochlor SCHEMBL4053953 0.86 TP53 (1.00) TP53ALDH1A1TDP1CYP3A4NR1I2
Acetochlor SCHEMBL21390 0.86 TP53 (1.00) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL8204724 0.86 ALDH1A1 (0.71) TP53ALDH1A1TDP1CYP3A4NR1I2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365484-B1 SULFAMOYL PHENYL UREAS CIBA-GEIGY AG (CH) 1993-01-07 EP claimed
EP-0281521-B1 HERBICIDAL COMPOSITIONS CIBA-GEIGY AG (CH) 1992-07-08 EP claimed
US-5108482-A Protect crep plant against phytotoxic action of herbicide; plant growth regulator CIBA-GEIGY CORPORATION (US) 1992-04-28 US claimed
EP-0397602-A1 N-phenylpyrrolidines CIBA-GEIGY AG (CH) 1990-11-14 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-0378508-B1 Antidotes to modify the resistance of cultivated plants to agrochemical agents CIBA GEIGY AG (CH) 1995-03-01 EP disclosed
US-5215570-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed
US-5175289-A Antidotes for protecting cultivated plants from the phytotoxic action of herbicides CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed
EP-0281521-B1 HERBICIDAL COMPOSITIONS CIBA-GEIGY AG (CH) 1992-07-08 EP disclosed
US-5108482-A Protect crep plant against phytotoxic action of herbicide; plant growth regulator CIBA-GEIGY CORPORATION (US) 1992-04-28 US disclosed
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5041157-A Protecting soybeans or cereals CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-4579691-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-04-01 US disclosed
US-4576628-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-03-18 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed
US-4530716-A Plant safening agent CIBA-GEIGY CORPORATION (US) 1985-07-23 US disclosed
US-4523947-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1985-06-18 US disclosed
EP-0077755-B1 N-(1'-METHYL-2'-METHOXYETHYL)-N-CHLOROACETYL-2-ETHYL-6-METHYL ANILINE AS A HERBICIDE CIBA-GEIGY AG (CH) 1985-03-06 EP disclosed
EP-0077755-A2 N-(1'-methyl-2'-methoxyethyl)-N-chloroacetyl-2-ethyl-6-methyl aniline as a herbicide CIBA-GEIGY AG (CH) 1983-04-27 EP disclosed