SCHEMBL30968570

SCHEMBL30968570

CC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(Br)c2Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
PTPN5 P54829 1/20 0.34

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
SCHEMBL25681766 0.82 KIF11 (0.49) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL30985262 0.77 KIF11 (0.50) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL24870949 0.76 KIF11 (0.46) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL31754143 0.75 KIF11 (0.45) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL5547288 0.74 KIF11 (0.72) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL30023786 0.74 KIF11 (0.72) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL29373306 0.73 KIF11 (0.64) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL31326806 0.73 KIF11 (0.50) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL27659191 0.72 KIF11 (0.76) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL7914527 0.72 HDAC4 (0.47) KIF11RXRARXRBHDAC4HDAC2

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
CN-114423769-B Compounds in catalyst compositions for the production of polyolefins SABIC环球技术有限责任公司 2024-04-26 CN disclosed