SCHEMBL28040419

SCHEMBL28040419

CC(C)(C)c1cc(C(C)(C)C)cc([Si]([C]2C=Cc3ccccc32)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
BCHE P06276 1/20 0.31
POLB P06746 1/20 0.31
PTPRC P08575 1/20 0.31
MAPT P10636 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
SCHEMBL27886299 0.75 LMNA (0.39) ALDH1A1KDM4EMEN1LMNABCHE
SCHEMBL28040837 0.74 KDM4E (0.31) ALDH1A1KDM4EMEN1LMNABCHE
SCHEMBL28040608 0.74 LMNA (0.34) ALDH1A1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL28040389 0.74 NPC1 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL28040359 0.72 PTAFR (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL8079478 0.71 LMNA (0.39) ALDH1A1KDM4EMEN1LMNABCHE
SCHEMBL28823600 0.69 HDAC4 (0.33) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL3687726 0.68 LMNA (0.36) ALDH1A1KDM4EMEN1LMNABCHE
SCHEMBL28823624 0.67 LOXL2 (0.39) ALDH1A1NFKB1
SCHEMBL1028328 0.67 LMNA (0.41) ALDH1A1NPC1CASP3RAB9ASENP8

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-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed