SCHEMBL7203019

SCHEMBL7203019

CC(C)(C)c1cccc(C(C)(C)Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.52
HDAC8 Q9BY41 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
ACHE P22303 4/20 0.44
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL2241265 0.92 ESR1 (0.46) KIF11HDAC8HDAC4HDAC2ACHE
SCHEMBL129151 0.89 HDAC8 (0.56) KIF11HDAC8HDAC4HDAC2ACHE
Water SCHEMBL29289408 0.86 HDAC8 (0.54) KIF11HDAC8HDAC4HDAC2ACHE
Nitrogen SCHEMBL28547462 0.81 HDAC8 (0.50) KIF11HDAC8HDAC4HDAC2ACHE
Methoxymethane SCHEMBL28022475 0.81 HDAC8 (0.50) KIF11HDAC8HDAC4HDAC2ACHE
SCHEMBL8712101 0.80 TSHR (0.52) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL29002849 0.79 HDAC8 (0.54) KIF11HDAC8HDAC4HDAC2ACHE
SCHEMBL28653353 0.79 HDAC8 (0.54) KIF11HDAC8HDAC4HDAC2ACHE
SCHEMBL9492395 0.79 HDAC8 (0.54) KIF11HDAC8HDAC4HDAC2ACHE
SCHEMBL28328740 0.79 HDAC8 (0.54) KIF11HDAC8HDAC4HDAC2ACHE

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
WO-2003068832-A1 CUREABLE SILANE FUNCTIONALIZED SEALANT COMPOSITION AND MANUFACTURE OF SAME BRIDGESTONE CORPORATION (JP) 2003-08-21 WO claimed
WO-2003068832-A1 CUREABLE SILANE FUNCTIONALIZED SEALANT COMPOSITION AND MANUFACTURE OF SAME BRIDGESTONE CORPORATION (JP) 2003-08-21 WO disclosed