SCHEMBL30107708

SCHEMBL30107708

CC(C)c1cc(C(C)(C)c2ccc(N)c(C(C)C)c2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
ESR1 P03372 3/20 0.38
GAA P10253 3/20 0.35
ESR2 Q92731 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
KLF10 Q13118 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
ESRRG P62508 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL7641269 1.00 RORC (0.46) RORCESR1GAAESR2ALDH1A1
SCHEMBL11023078 0.91 ESR1 (0.44) RORCESR1ESR2ALDH1A1CYP3A4
SCHEMBL9861579 0.82 PDE2A (0.44) GAAALDH1A1MEN1MAPTPKM
SCHEMBL9861396 0.79 PDE2A (0.34) THRB
SCHEMBL5958755 0.79 PDE2A (0.34) THRB
SCHEMBL29143508 0.77 KIF11 (0.35) GAAALDH1A1MEN1MAPTPKM
SCHEMBL7100711 0.76 SMN1; SMN2 (0.45) RORCMEN1KMT2AARTSHR
SCHEMBL6523362 0.76 RORC (0.37) RORCGAAALDH1A1RECQLCYP3A4
SCHEMBL124727 0.75 RORC (0.70) RORCESR1GAAESR2ALDH1A1
SCHEMBL29395733 0.75 RORC (0.70) RORCESR1GAAESR2ALDH1A1

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
WO-2024052724-A1 COATING KIT AND METHOD FOR REPAIR AND/OR RECONSTITUTION OF RUBBER AND/OR METAL WORN AREAS BERTECH PANAMÁ S.A. (PA) 2024-03-14 WO disclosed
CN-116964528-A Material for forming film for lithography, composition, underlayer film for lithography, and pattern forming method 三菱瓦斯化学株式会社 2023-10-27 CN disclosed
CN-111801355-B Polymer material and method for producing same 国立大学法人大阪大学 2023-02-28 CN disclosed
WO-2023003043-A1 SILICONE-BASED POLYMER COMPOUND AND SILICONE-BASED POLYMER MATERIAL 国立大学法人大阪大学 2023-01-26 WO disclosed