SCHEMBL6136635

SCHEMBL6136635

CCCOC(=O)NC(=S)OCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 8/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
EPHX1 P07099 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL5162691 0.92 EPHX1 (0.47) HPGDALDH1A1MAPTACHEEPHX1
SCHEMBL10563632 0.92 HPGD (0.41) HPGDALDH1A1MEN1MAPTPKM
SCHEMBL4430601 0.88 EPHX1 (0.50) HPGDALDH1A1MAPTACHEEPHX1
SCHEMBL5164102 0.84 EPHX1 (0.56) ALDH1A1ACHEEPHX1
SCHEMBL2942928 0.84 EPHX1 (0.61) ACHEEPHX1
SCHEMBL4882104 0.84 EPHX1 (0.61) ACHEEPHX1
SCHEMBL2912153 0.84 ACHE (0.48) HPGDALDH1A1MEN1KMT2AACHE
SCHEMBL5162543 0.83 EPHX1 (0.59) ACHEEPHX1
SCHEMBL27727591 0.81 KDM4E (0.40) HPGDALDH1A1MEN1KMT2AACHE
SCHEMBL10564570 0.80 ALDH1A1 (0.45) HPGDALDH1A1MAPTACHEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059289-B1 Process for manufacture of N-alk(en)oxy(or aryloxy)carbonyl isothiocyanates and their derivatives in the presence of N,N-dialkylarylamine catalyst BAYER AG (US) 2005-07-27 EP disclosed
EP-1113010-B1 A process for the manufacture of substituted triazolinones BAYER AG (US) 2003-10-08 EP disclosed
EP-1113010-A1 A process for the manufacture of substituted triazolinones Bayer Corporation (US) 2001-07-04 EP disclosed
US-6197971-B1 CYCLIZATION REACTION OF THIONOCARBAMATE WITH HYDRAZINE; ALKYLATION; HERBICIDE CHEMICAL INTERMEDIATES BAYER CORPORATION 2001-03-06 US disclosed
US-6184412-B1 REACTING A CHLOROFORMATE WITH A THIOCYANATE IN AN AQUEOUS SOLVENT AND A CATALYTIC N,N-DIALKYLARYLAMINE TO PRODUCE A N-ALKOXY(OR ARYLOXY)CARBONYL ISOTHIOCYANATE INTERMEDIATE; CONVERTING TO AN N-ALKOXY(OR ARYLOXY)CARBONYL ISOTHIOCYANATE BAYER CORPORATION 2001-02-06 US disclosed
EP-1059289-A1 Process for manufacture of N-alk(en)oxy(or aryloxy)carbonyl isothiocyanates and their derivatives in the presence of N,N-dialkylarylamine catalyst Bayer Corporation (US) 2000-12-13 EP disclosed
US-RE32827-E RECOVERY OF METALS AMERICAN CYANAMID (US) 1989-01-10 US disclosed
US-4657688-A FROTH FLOTATION FOR RECOVERING OF METAL VALUES FROM BASE METAL SULFIDE ORES AMERICAN CYANAMID COMPANY (US) 1987-04-14 US disclosed
US-4595493-A Providing aqueous pulp slurry of ore particles, conditioning slurry with frothing agent and metal collector thionocarbamate, frothing, recovering sulfides AMERICAN CYANAMID COMPANY (US) 1986-06-17 US disclosed
US-4584097-A Neutral hydrocarboxycarbonyl thionocarbamate sulfide collectors AMERICAN CYANAMID COMPANY (US) 1986-04-22 US disclosed