SCHEMBL29652122

SCHEMBL29652122

Nc1ccccc1CC(Cl)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PNMT P11086 1/20 0.34
POLB P06746 1/20 0.34
AR P10275 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1691505 0.76 FDPS (0.50) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL8830195 0.76 FDPS (0.50) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL6708534 0.75 HSPA5 (0.40) TSHRPNMTSLC6A2SLC6A4SLC6A3
SCHEMBL7717828 0.73 TSHR (0.39) TSHRALDH1A1PNMTKMT2A
SCHEMBL8525795 0.73 IDO1 (0.52) CYP3A4SMN1; SMN2TSHRPNMTSLC6A2
SCHEMBL11476666 0.73 FDPS (0.47) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL3940986 0.73 FDPS (0.56) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL1598574 0.73 FDPS (0.47) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL293842 0.72
SCHEMBL7631074 0.71 HSPA5 (0.54) ALOX15CYP3A4SMN1; SMN2TSHRL3MBTL1

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
CN-114709406-A Sulfur-rich copolymer material, lithium-sulfur battery positive electrode material, and preparation methods and applications thereof 中国电建集团成都勘测设计研究院有限公司 2022-07-05 CN disclosed