SCHEMBL9800166

SCHEMBL9800166

CCCC(C)(C)C(=O)N(Cc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(CN(CC3CCCO3)C(=O)C(C)(C)CCC)c2F)c1F)CC1CCCO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
RIPK1 Q13546 1/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
OXTR P30559 2/20 0.32
AVPR1A P37288 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL483362 0.85 MLYCD (0.31) TP53L3MBTL1
SCHEMBL9800169 0.81 RIPK1 (0.35) RIPK1
SCHEMBL9800261 0.81 RIPK1 (0.37) RIPK1
SCHEMBL2831183 0.74 PPARG (0.30)
SCHEMBL2833657 0.74 MC4R (0.34) RIPK1
SCHEMBL483322 0.73 HDAC3 (0.30)
SCHEMBL482927 0.73
SCHEMBL15283391 0.73 RIPK1 (0.40) RIPK1
SCHEMBL9800176 0.72 TSPO (0.35) RIPK1
SCHEMBL482930 0.72 MEN1 (0.41) ALDH1A1OXTRAVPR1A

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
US-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed