SCHEMBL9505783

SCHEMBL9505783

CCc1ccc(C(C)(C)C)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ANO1 Q5XXA6 1/20 0.42
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2D6 P10635 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 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
SCHEMBL840783 0.87 ALDH1A1 (0.55) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL18392736 0.85 ALDH1A1 (0.53) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL11511323 0.85 ALDH1A1 (0.48) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL31273837 0.83 ALDH1A1 (0.57) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL11932057 0.83 ALDH1A1 (0.38) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL18901113 0.83 ALDH1A1 (0.57) ALDH1A1MAPTMEN1GAAPKM
Methylamine SCHEMBL28262977 0.83 CYP1A2 (0.46) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL11623059 0.81 CYP1A2 (0.46) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL14367955 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL11546049 0.81 CYP1A2 (0.44) ALDH1A1MAPTMEN1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311387-B1 AROMATIC AMINE RESINS, THEIR PRODUCTION PROCESS AND THERMOSETTING RESIN COMPOSITIONS MAKING USE OF THE SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-11 EP disclosed
EP-0342943-B1 THERMOSETTING RESIN COMPOSITION MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 EP disclosed
US-5145949-A Production process for making aromatic amine resins MITSUI TOATSU CHEMICALS, INC. (JP) 1992-09-08 US disclosed
US-5106953-A Reacting aromatic amines with bishalogenomethyl derivatives; curing agents or raw materials for polyamides MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-21 US disclosed
US-5051494-A A bismaleimide and an amino resin MITSUI TOATSU CHEMICALS, INC. (JP) 1991-09-24 US disclosed
US-5010161-A Of poly (phenylenebisalkylene) poly (phenylamine) with aldehyde, regenerated under hydrolysis, for use in moisture curable polyurethanes MITSUI TOATSU CHEMICALS, INC. (JP) 1991-04-23 US disclosed
US-4959443-A HIGH STRENGTH, REACTION OF ARALKYL ALCOHOL AND AROMATIC AMINE MITSUI TOATSU CHEMICALS, INC. (JP) 1990-09-25 US disclosed
EP-0375318-A2 Polyaldimine derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 EP disclosed
US-4937318-A Aromatic amine resins MITSUI TOATSU CHEMICALS, INC. (JP) 1990-06-26 US disclosed
EP-0342943-A1 Thermosetting resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-23 EP disclosed
EP-0311387-A2 Aromatic amine resins, their production process and thermosetting resin compositions making use of the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-12 EP disclosed