SCHEMBL7789585

SCHEMBL7789585

CC(C)CC(C)c1cc(Cl)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 2/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
KDM1A O60341 1/20 0.35
PNMT P11086 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
SCHEMBL7089523 0.81 ALDH1A1 (0.38) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL4799932 0.79 SLC6A4 (0.33) ALDH1A1ALOX15SMN1; SMN2NPSR1HPGD
SCHEMBL3781446 0.78 CYP3A4 (0.52) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL7995851 0.73 TSHR (0.42) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL708994 0.72 ALDH1A1 (0.38) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL5108679 0.72 HTR2A (0.46) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL7998914 0.72 ALDH1A1 (0.45) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL4811208 0.71 USP2 (0.32) ALDH1A1ALOX15HPGDHSD17B10GAA
SCHEMBL4807725 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4807043 0.71 ALDH1A1 (0.33) ALDH1A1

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
EP-0824099-B1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS INC (JP) 2001-11-07 EP disclosed
US-5965774-A CONTROLLING PLANT DISEASES AGAINST BOTRYTIS CINEREA, POWDERY MILDEW, PYRICULARIA ORYZAE OF RICE PLANT MITSUI CHEMICALS, INC. (JP) 1999-10-12 US disclosed
US-5914344-A Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-06-22 US disclosed
EP-0824099-A1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-02-18 EP disclosed