SCHEMBL4444863

SCHEMBL4444863

[CH2]CSc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
HRH4 Q9H3N8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
BCHE P06276 5/20 0.40
ACHE P22303 5/20 0.40
KIF11 P52732 1/20 0.40
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL10599472 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2376871 0.79 HRH3 (0.45) ALDH1A1HRH3HRH4CYP1A2CYP3A4
SCHEMBL13220841 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL386172 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL5168465 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8956291 0.77 RAB9A (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL6582495 0.75 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL11102011 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL11196940 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL7246789 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120298007-A1 PROCESS FOR PRODUCING CELLULOSE ESTER FILM, CELLULOSE ESTER FILM, POLARIZATION PLATE AND DISPLAY UNIT KONICA MINOLTA OPTO, INC. (JP) 2012-11-29 US disclosed
US-20090306361-A1 PROCESS FOR PRODUCING CELLULOSE ESTER FILM, CELLULOSE ESTER FILM, POLARIZATION PLATE AND DISPLAY UNIT KONICA MINOLTA OPTO, INC. (JP) 2009-12-10 US disclosed
US-4226999-A ANTIOXIDANTS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1980-10-07 US disclosed
US-4202816-A ENOL-PIPERIDINE METAL COMPLEXES CIBA-GEIGY CORPORATION (US) 1980-05-13 US disclosed
US-4198334-A HEAT, LIGHT, OXIDATION RESISTANCE, PLASTICS CIBA-GEIGY CORPORATION (US) 1980-04-15 US disclosed
US-4148784-A HEAT, LIGHT AND OXIDATION RESISTANCE FOR SYNTHETIC POLYMERS CIBA-GEIGY CORPORATION (US) 1979-04-10 US disclosed