SCHEMBL8724971

SCHEMBL8724971

CC(C)(C)c1ccc(CCCCCCCOCCCCCCCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58
SIGMAR1 Q99720 5/20 0.47
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MITF O75030 1/20 0.44
LMNA P02545 2/20 0.43
ACHE P22303 1/20 0.43
STS P08842 2/20 0.42
ESRRG P62508 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL30151187 1.00 KCNH2 (0.58) KCNH2SIGMAR1TDP1L3MBTL1MITF
SCHEMBL23014940 0.93 KCNH2 (0.51) KCNH2SIGMAR1TDP1L3MBTL1MITF
SCHEMBL25590542 0.91 KCNH2 (0.53) KCNH2SIGMAR1TDP1L3MBTL1MITF
SCHEMBL23015030 0.91 KCNH2 (0.53) KCNH2SIGMAR1TDP1L3MBTL1MITF
SCHEMBL24811923 0.84 KCNH2 (0.53) KCNH2SIGMAR1MITFLMNAACHE
SCHEMBL793588 0.84 KCNH2 (0.50) KCNH2SIGMAR1MITFLMNAACHE
SCHEMBL20325128 0.83 KCNH2 (0.56) KCNH2SIGMAR1MITFLMNAMEN1
SCHEMBL6370599 0.81 KCNH2 (0.50) KCNH2SIGMAR1MITFLMNAACHE
SCHEMBL1789939 0.81 KCNH2 (0.50) KCNH2SIGMAR1MITFLMNASTS
SCHEMBL31573982 0.81 KCNH2 (0.67) KCNH2SIGMAR1MITFLMNAACHE

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-5800624-A LIPOPHILIC POLYMER, HYDROPHOBIC PLASTICIZER, QUATERNARY AMMONIUM OR PHOSPHONIUM CARRIER UNIVERSITY OF NOTRE DAME (US) 1998-09-01 US disclosed