SCHEMBL9723347

SCHEMBL9723347

CCOCCC(CC)N(C(=O)CCl)c1c(C)cccc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TP53 P04637 6/20 0.51
TDP1 Q9NUW8 4/20 0.51
CYP3A4 P08684 1/20 0.51
NR1I2 O75469 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
RORC P51449 1/20 0.36
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
GPX4 P36969 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL9634306 0.84 THRB (0.48) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL9633714 0.81 ALDH1A1 (0.50) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL9213896 0.77 TP53 (0.55) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL11569945 0.77 TP53 (0.54) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL10414183 0.75 ALDH1A1 (0.63) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL4659790 0.73 RORC (0.56) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL7274378 0.73 ALDH1A1 (0.47) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL10970495 0.73 RORC (0.56) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL6880404 0.72 THRB (0.67) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL6880410 0.72 THRB (0.67) ALDH1A1TP53TDP1CYP3A4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5108482-A Protect crep plant against phytotoxic action of herbicide; plant growth regulator CIBA-GEIGY CORPORATION (US) 1992-04-28 US claimed
US-5175289-A Antidotes for protecting cultivated plants from the phytotoxic action of herbicides CIBA-GEIGY CORPORATION (US) 1992-12-29 US 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-5041157-A Protecting soybeans or cereals CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed