SCHEMBL29845641

SCHEMBL29845641

O=C1CC(=O)c2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
PARP1 P09874 3/20 0.41
ACHE P22303 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MAOB P27338 6/20 0.40
FABP6 P51161 1/20 0.38
TDP2 O95551 1/20 0.38
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
USP47 Q96K76 1/20 0.37
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL17369322 1.00 CA1 (0.47) CA1CA2CA7CA9PARP1
SCHEMBL8598463 0.86 CA1 (0.47) CA1CA2CA7CA9PARP1
SCHEMBL16750516 0.75 MEN1 (0.40) TDP2
SCHEMBL21795577 0.74 CA1 (0.39) CA1CA2CA7CA9PARP1
SCHEMBL30632305 0.74 CA1 (0.39) CA1CA2CA7CA9PARP1
SCHEMBL7043705 0.74 CA1 (0.39) CA1CA2CA7CA9PARP1
SCHEMBL30853835 0.74 CA1 (0.39) CA1CA2CA7CA9PARP1
SCHEMBL30559769 0.74 GRM5 (0.31)
SCHEMBL16357218 0.74 GRM5 (0.31)
SCHEMBL7567793 0.73 MAOA (0.47) CA1CA2CA7CA9PARP1

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
CN-117683027-A Organic hole injection material and application thereof 北京大学深圳研究生院 2024-03-12 CN disclosed
CN-109937489-B Photoelectric conversion element, image pickup element, and image pickup apparatus 佳能株式会社 2024-03-08 CN disclosed
CN-110301052-B Photoelectric conversion element, and optical area sensor, image pickup element, and image pickup apparatus using the same 佳能株式会社 2023-12-12 CN disclosed
CN-110386943-B Two-dimensional condensed ring conjugated macromolecule and preparation method and application thereof 北京大学 2022-09-09 CN disclosed