SCHEMBL9178257

SCHEMBL9178257

CCN(Cc1ccccc1)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
BCHE P06276 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AOC3 Q16853 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MGLL Q99685 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL10775522 0.88 LMNA (0.49) TSHRBCHEMAPK1LMNAL3MBTL1
SCHEMBL9079902 0.87 TSHR (0.46) TSHRBCHEMAPK1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL9079845 0.85 ALDH1A1 (0.44) TSHRBCHEMAPK1ALDH1A1LMNA
SCHEMBL6752042 0.85 L3MBTL1 (0.45) TSHRBCHEMAPK1LMNASMN1; SMN2
SCHEMBL6752046 0.85 L3MBTL1 (0.45) TSHRBCHEMAPK1LMNASMN1; SMN2
SCHEMBL12604504 0.79 TSHR (0.50) TSHRBCHEMAPK1ALDH1A1LMNA
SCHEMBL6767445 0.78 LTA4H (0.57) LMNAL3MBTL1
SCHEMBL10759903 0.78 TSHR (0.45) TSHRBCHEMAPK1ALDH1A1POLB
SCHEMBL8498728 0.78 BCHE (0.39) TSHRBCHEMAPK1ALDH1A1NPC1
SCHEMBL2659990 0.78 TSHR (0.48) TSHRBCHEMAPK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5331011-A N-benzyl-n-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1994-07-19 US claimed
US-5221694-A Preventing or curing plant diseases MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-06-22 US claimed
JP-5140054-A None JP disclosed
JP-5238995-A None JP disclosed
JP-4217946-A None JP disclosed
US-20150150264-A1 Alkali Metal Bisulfate Method JONES-HAMILTON CO. 2015-06-04 US disclosed
US-20150010653-A1 Alkali Metal Bisulfate Composition and Method JONES-HAMILTON CO. 2015-01-08 US disclosed
EP-0454492-B1 N-benzyl-N-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL CO (JP) 1995-06-21 EP disclosed
EP-0454492-B1 N-benzyl-N-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL CO (JP) 1995-06-21 EP disclosed
US-5331011-A N-benzyl-n-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1994-07-19 US disclosed
US-5331011-A N-benzyl-n-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1994-07-19 US disclosed
US-5331011-A N-benzyl-n-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1994-07-19 US disclosed
JP-H05238995-A N-BENZYL-N-PHENOXYETHYLAMINE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUBISHI GAS CHEM CO INC 1993-09-17 JP disclosed
US-5221694-A Preventing or curing plant diseases MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-06-22 US disclosed
US-5221694-A Preventing or curing plant diseases MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-06-22 US disclosed
JP-H05140054-A N-BENZYL-N-PHENOXYETHYLAMINE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUBISHI GAS CHEM CO INC 1993-06-08 JP disclosed
JP-H04217946-A N-BENZYL-N-PHENOXYETHYLAMINES AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUBISHI GAS CHEM CO INC 1992-08-07 JP disclosed
EP-0454492-A1 N-benzyl-N-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-10-30 EP disclosed
EP-0454492-A1 N-benzyl-N-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-10-30 EP disclosed