SCHEMBL9213896

SCHEMBL9213896

CCOCCC(C)CN(C(=O)CCl)c1c(C)cccc1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.55
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 3/20 0.55
CYP3A4 P08684 1/20 0.55
NR1I2 O75469 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
PAX8 Q06710 3/20 0.35
GPX4 P36969 1/20 0.35
RORC P51449 1/20 0.35
THRB P10828 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
JAK2 O60674 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL10414183 0.81 ALDH1A1 (0.63) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9213893 0.80 ALDH1A1 (0.51) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL6907412 0.78 ALDH1A1 (0.51) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL10536548 0.78 ALDH1A1 (0.84) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9211212 0.78 ALDH1A1 (0.51) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9213147 0.78 ALDH1A1 (0.54) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9723347 0.77 ALDH1A1 (0.51) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9212491 0.76 NR1I2 (0.76) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9633714 0.76 ALDH1A1 (0.50) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9210761 0.75 ALDH1A1 (0.59) 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 8 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
EP-0397602-A1 N-phenylpyrrolidines CIBA-GEIGY AG (CH) 1990-11-14 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-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
EP-0397602-A1 N-phenylpyrrolidines CIBA-GEIGY AG (CH) 1990-11-14 EP disclosed
EP-0378508-A2 Antidotes to modify the resistance of cultivated plants to agrochemical agents CIBA-GEIGY AG (CH) 1990-07-18 EP disclosed