SCHEMBL28858765

SCHEMBL28858765

COc1cccc2c1-c1ccccc1[CH]2.Cl[Zr]Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TOP1 P11387 1/20 0.42
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
DUSP3 P51452 1/20 0.42
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NR3C1 P04150 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FGB P02675 1/20 0.39

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
SCHEMBL7525316 0.93 CA1 (0.47) CA1CA2CA7CA9TOP1
SCHEMBL27361276 0.77 CD44 (0.39) CA1CA2CA7CA9ALDH1A1
SCHEMBL27546905 0.73 ALDH1A1 (0.39) ALDH1A1MAPK1HPGD
SCHEMBL28199759 0.72 MAPT (0.46) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL27618349 0.72 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL16174455 0.71 CA1 (0.57) CA1CA2CA7CA9TOP1
SCHEMBL5576493 0.71 CA1 (0.57) CA1CA2CA7CA9TOP1
SCHEMBL218360 0.71 CA1 (0.46) CA1CA2CA7CA9TOP1
SCHEMBL397261 0.68 ALDH1A1 (0.61) CA1CA2CA7CA9TOP1
SCHEMBL11528492 0.67 CYP2A6 (0.39) ALDH1A1KMT2AMEN1KDM4ERAB9A

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-115023446-A Process for preparing catalyst and catalyst composition 台塑工业美国公司 2022-09-06 CN disclosed