SCHEMBL9150911

SCHEMBL9150911

CCCCCCOc1ccc(OC(=O)Nc2cccc(O)c2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 12/20 0.62
▸ PLK1 P53350 2/20 0.54
▸ PLK3 Q9H4B4 1/20 0.54
▸ TP53 P04637 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PLA2G4B P0C869 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 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
SCHEMBL8654563 0.84 PLK1 (0.59) PLK1PLK3MEN1KMT2A
SCHEMBL8658169 0.84 PLK1 (0.59) PLK1PLK3MEN1KMT2A
SCHEMBL8654473 0.84 PLK1 (0.59) PLK1PLK3MEN1KMT2A
SCHEMBL8654919 0.84 PLK1 (0.59) PLK1PLK3MEN1KMT2A
SCHEMBL8655191 0.84 PLK1 (0.59) PLK1PLK3MEN1KMT2A
SCHEMBL8651258 0.84 PLK1 (0.59) PLK1PLK3MEN1KMT2A
SCHEMBL8655478 0.84 PLK1 (0.59) PLK1PLK3MEN1KMT2A
SCHEMBL8658237 0.84 PLK1 (0.59) PLK1PLK3MEN1KMT2A
SCHEMBL8655980 0.84 PLK1 (0.59) PLK1PLK3MEN1KMT2A
SCHEMBL8655100 0.84 PLK1 (0.59) PLK1PLK3MEN1KMT2A

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
US-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 — — US disclosed
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