SCHEMBL9968252

SCHEMBL9968252

CCC(C)(C)c1cnc2c(c1)c1cc([Si](c3ccccc3)(c3ccccc3)c3cnc4c(c3)c3cc(C(C)(C)CC)cnc3n4-c3ccc(C(C)(C)C)cc3)cnc1n2-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TP53 P04637 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL9968248 0.82 PGR (0.34) PPARGMAPK1LMNAATMALDH1A1
SCHEMBL9968232 0.80 PPARG (0.38) PPARG
SCHEMBL9968049 0.79 FEN1 (0.35) MAPK1ATMALDH1A1
SCHEMBL9968266 0.77 PGR (0.35) PPARGMAPK1LMNANPC1CASP3
SCHEMBL9968141 0.75 ALDH1A2 (0.32) ALDH1A1MAPT
SCHEMBL9968048 0.71 FEN1 (0.45) ALDH1A1MAPT
SCHEMBL1200222 0.70 PPARG (0.40) PPARGMAPK1ATMNR1H4ALDH1A1
SCHEMBL29353978 0.70 PPARG (0.40) PPARGMAPK1ATMNR1H4ALDH1A1
SCHEMBL29353366 0.70 PPARG (0.40) PPARGMAPK1ATMNR1H4ALDH1A1
SCHEMBL5441060 0.68 PPARG (0.39) PPARGATMNR1H4

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed