SCHEMBL6441401

SCHEMBL6441401

CCCP(CCC)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IDO1 P14902 1/20 0.32
LOXL2 Q9Y4K0 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
SCHEMBL15656315 0.87
SCHEMBL7612857 0.83 HTR7 (0.43) HTR7HPGDHDAC3HDAC1HDAC2
SCHEMBL7563972 0.78 TDP1 (0.40) CES2CES1ACHELMNAALDH1A1
SCHEMBL780436 0.77 HTR7 (0.37) HTR7ACHELMNAALDH1A1HPGD
SCHEMBL27476667 0.76 CYP19A1 (0.39) ACHELMNAALDH1A1GAANPC1
SCHEMBL301087 0.75 CYP3A4 (0.41) CES2CES1ALDH1A1HPGDGAA
SCHEMBL1241769 0.73 CYP3A4 (0.39) CES2CES1ALDH1A1HPGDGAA
SCHEMBL17529757 0.73 CA1 (0.48) CES2CES1ACHEHDAC3HDAC1
SCHEMBL15660150 0.72 TSHR (0.32) HTR7LMNATP53
SCHEMBL2879318 0.70 TSHR (0.35) ACHELMNAALDH1A1NPC1HTT

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
EP-1252166-B1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM EXXONMOBIL CHEM PATENTS INC (US) 2005-11-09 EP disclosed