SCHEMBL22295266

SCHEMBL22295266

CC(C)CCCC(C)CCCC(C)CCOc1ccc2c(c1)C(Br)(c1ccccc1)C1=C2CC=CC=C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GSTO1 P78417 1/20 0.34
ALOX5 P09917 1/20 0.31

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
SCHEMBL96056 0.81 PDK2 (0.51) PDK2TDP1GSTO1
SCHEMBL95711 0.71 PDK2 (0.56) PDK2GSTO1
SCHEMBL31193486 0.71 PDK2 (0.56) PDK2GSTO1
SCHEMBL4762110 0.66 KCNA3 (0.52) TDP1ALOX5
SCHEMBL7536898 0.66 KCNA3 (0.52) TDP1ALOX5
SCHEMBL18837357 0.65 NPC1 (0.55) TDP1GSTO1ALOX5
SCHEMBL96053 0.65 MAPT (0.49) PDK2TDP1ALOX5
SCHEMBL13502293 0.65 TDP1 (0.45) PDK2TDP1GSTO1ALOX5
SCHEMBL13502291 0.64 TDP1 (0.41) PDK2TDP1GSTO1ALOX5
SCHEMBL16340342 0.64 TDP1 (0.58) TDP1GSTO1ALOX5

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
EP-2612845-B1 AROMATIC COMPOUND CONTAINING SPECIFIC BRANCH AJINOMOTO KK (JP) 2020-08-05 EP disclosed