SCHEMBL11527731

SCHEMBL11527731

CCCCCc1ccc(C(=O)c2ccccc2I)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 5/20 0.55
▸ PLK3 Q9H4B4 3/20 0.55
▸ RARB P10826 5/20 0.51
▸ THRA P10827 7/20 0.50
▸ THRB P10828 7/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RARA P10276 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ PLA2G1B P04054 1/20 0.48
▸ ATG4B Q9Y4P1 1/20 0.48

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
SCHEMBL5416299 0.99 PLK1 (0.57) PLK1PLK3RARBTHRATHRB
SCHEMBL5422705 0.84 PLK1 (0.56) PLK1PLK3RARBTHRATHRB
SCHEMBL2944041 0.84 PLK1 (0.64) PLK1PLK3RARBMEN1KMT2A
SCHEMBL4285675 0.82 PLK1 (0.58) PLK1PLK3RARBTHRATHRB
SCHEMBL11863439 0.82 PLK1 (0.58) PLK1PLK3RARBTHRATHRB
SCHEMBL918747 0.82 PLK1 (0.66) PLK1PLK3RARBTHRATHRB
SCHEMBL11530894 0.82 PLK1 (0.52) PLK1PLK3RARBTHRATHRB
SCHEMBL11530249 0.82 PLK1 (0.52) PLK1PLK3RARBTHRATHRB
SCHEMBL4354691 0.81 THRA (0.56) PLK1PLK3RARBTHRATHRB
SCHEMBL5414509 0.81 PLK1 (0.54) PLK1PLK3RARBTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4145444-A 4-BUTYL-BENZOPHENONE KAKEN CHEMICAL CO., LTD. (JP) 1979-03-20 — — US disclosed
US-4124726-A 2-FLUORO-4'-ALKYLBENZOPHENONE KAKEN CHEMICAL CO., LTD. (JP) 1978-11-07 — — US disclosed
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