SCHEMBL8750571

SCHEMBL8750571

COC(C)c1cccc(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC2 Q92769 1/20 0.39
ACHE P22303 3/20 0.39
KIF11 P52732 3/20 0.38
SLC6A4 P31645 4/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
RXRA P19793 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL475371 0.86 HDAC4 (0.40) HDAC4HDAC8HDAC2ACHEKIF11
SCHEMBL9245588 0.83 HDAC8 (0.42) HDAC4HDAC8HDAC2ACHEKIF11
SCHEMBL7078329 0.83 IDO1 (0.50) SLC6A4HTR2CHTR2BHTR2AIDO1
SCHEMBL348759 0.82 HDAC4 (0.40) HDAC4HDAC8HDAC2ACHEKIF11
SCHEMBL7901293 0.81 HDAC4 (0.41) HDAC4HDAC8HDAC2ACHEHTR2B
SCHEMBL598661 0.79 KIF11 (0.49) HDAC4HDAC8HDAC2ACHEKIF11
SCHEMBL21451452 0.79 HDAC8 (0.42) HDAC4HDAC8HDAC2ACHEKIF11
SCHEMBL10005905 0.79 HDAC4 (0.38) HDAC4HDAC8HDAC2ACHEKIF11
SCHEMBL1787675 0.79 ACHE (0.45) HDAC4HDAC8HDAC2ACHERXRA
SCHEMBL17449153 0.78 ACHE (0.50) HDAC4HDAC8HDAC2ACHEKIF11

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
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed