SCHEMBL21799475

SCHEMBL21799475

CC(C)CC(C)Nc1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DDX3X O00571 2/20 0.42
RAPGEF4 Q8WZA2 1/20 0.41
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL11765238 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPK1ALOX15TSHR
SCHEMBL14320427 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4MAPK1MAPTMEN1
SCHEMBL29922665 0.81 GAA (0.43) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL21799838 0.81 GAA (0.43) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL6945904 0.81 MAPT (0.43) ALDH1A1CYP3A4MAPK1MAPTMEN1
Hydrochloric Acid SCHEMBL6937940 0.79 MAPT (0.42) ALDH1A1CYP3A4MAPK1MAPTMEN1
SCHEMBL487356 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TSHRALOX12
SCHEMBL25134499 0.79 MAPK1 (0.54) ALDH1A1CYP3A4MAPK1ALOX15TSHR
SCHEMBL10914621 0.79 ALDH1A1 (0.54) ALDH1A1CYP3A4MAPK1ALOX15TSHR
SCHEMBL21799891 0.78 GAA (0.41) ALDH1A1CYP3A4ALOX15TSHRHIF1A

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
EP-3623398-B1 RESIN COMPOSITION COMPRISING A MODIFIED BLOCK COPOLYMER AND METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER ASAHI CHEMICAL IND (JP) 2024-08-28 EP disclosed
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed