SCHEMBL18995658

SCHEMBL18995658

CCCCCCC(C)(CC)OC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
CYP2D6 P10635 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL21579301 0.89 TP53 (0.37) TP53HTTL3MBTL1POLBLMNA
SCHEMBL26504917 0.79 HRH3 (0.38) HRH3
SCHEMBL19867105 0.77 TP53 (0.39) TP53HTTL3MBTL1POLBTDP1
SCHEMBL18799820 0.76 POLB (0.36) TP53HTTL3MBTL1POLBTDP1
SCHEMBL22224668 0.76 POLB (0.37) TP53HTTL3MBTL1POLBTDP1
SCHEMBL18799869 0.76 POLB (0.37) TP53HTTL3MBTL1POLBTDP1
SCHEMBL21880995 0.75 GNAI3 (0.37) HRH1
SCHEMBL4569268 0.72 TP53 (0.46) TP53HTTL3MBTL1POLBLMNA
SCHEMBL21790509 0.72 TDP1 (0.38) TP53POLBTDP1ALDH1A1ATM
SCHEMBL21881668 0.72 GNAO1 (0.40) HRH1

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-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed