SCHEMBL7790948

SCHEMBL7790948

C=C(CC(C)C)c1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
HSD17B10 Q99714 6/20 0.42
CFTR P13569 1/20 0.41
KDM4E B2RXH2 6/20 0.41
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SLC25A5 P05141 1/20 0.37
FADS1 O60427 1/20 0.36
HPGD P15428 4/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 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
SCHEMBL20340877 0.89 ALDH1A1 (0.40) ALDH1A1HSD17B10CFTRKDM4ETSHR
SCHEMBL22562977 0.81 ALDH1A1 (0.37) ALDH1A1HSD17B10CFTRKDM4ETSHR
SCHEMBL22562942 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10CFTRKDM4ETSHR
SCHEMBL9626588 0.80 NPC1 (0.41) ALDH1A1HSD17B10KDM4ETSHRGAA
SCHEMBL18937407 0.80 ALDH1A1 (0.36) ALDH1A1TSHRGAAMAPTMAOA
SCHEMBL24385024 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10CFTRKDM4ETSHR
SCHEMBL1260279 0.78 ALDH1A1 (0.49) ALDH1A1HSD17B10CFTRKDM4ETSHR
SCHEMBL19519881 0.77 KDM4E (0.49) ALDH1A1HSD17B10KDM4ETSHRGAA
SCHEMBL6839010 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10CFTRKDM4ETSHR
SCHEMBL18959738 0.76 CTSD (0.46) ALDH1A1GAAHPGDCYP3A4SMN1; SMN2

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
CN-119143613-A Preparation method of 2- (3-methyl-1-methylene butyl) aniline 浙江工业大学 2024-12-17 CN claimed
CN-119143613-A Preparation method of 2- (3-methyl-1-methylene butyl) aniline 浙江工业大学 2024-12-17 CN disclosed
CN-119143613-A Preparation method of 2- (3-methyl-1-methylene butyl) aniline 浙江工业大学 2024-12-17 CN disclosed
CN-119143613-A Preparation method of 2- (3-methyl-1-methylene butyl) aniline 浙江工业大学 2024-12-17 CN disclosed
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