SCHEMBL14725902

SCHEMBL14725902

CC(C)(C)CC(c1cccc(Br)c1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.38
TDO2 P48775 1/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
AGXT P21549 2/20 0.34
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
MAOA P21397 1/20 0.33
CTSA P10619 1/20 0.33
BCDIN3D Q7Z5W3 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL16508612 0.81 IDO1 (0.37) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL1419641 0.79 GBA1 (0.47) IDO1TDO2ALDH1A1MAPK1AGXT
SCHEMBL2879340 0.79 ADRB1 (0.47) CYP3A4SLC6A3ALDH1A1
SCHEMBL12361552 0.77 ALDH1A1 (0.38) CYP3A4CYP2D6ALDH1A1
SCHEMBL1919968 0.77 RIPK1 (0.45) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL18671644 0.76 ENPP2 (0.37) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL25547849 0.75 ENPP2 (0.40) ALDH1A1
SCHEMBL18903108 0.75 CNR1 (0.39) SLC6A2SLC6A4ALDH1A1BCDIN3D
SCHEMBL14537981 0.74 SLC6A2 (0.31) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL13378313 0.73 TP53 (0.45) CYP3A4CYP2D6ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022172602-A1 ACTINIC LIGHT-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMATION METHOD, AND METHOD FOR PRODUCING ELECTRONIC DEVICES 富士フイルム株式会社 2022-08-18 WO disclosed