SCHEMBL5716099

SCHEMBL5716099

CCCCP(CC)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACHE P22303 1/20 0.31
SLC9A1 P19634 2/20 0.31
LMNA P02545 1/20 0.31
ALPG P10696 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NFE2L2 Q16236 1/20 0.30
TLR8 Q9NR97 1/20 0.30
PSIP1 O75475 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
SCHEMBL5715616 0.86 HDAC3 (0.35) HDAC3HDAC1HDAC2SMN1; SMN2MEN1
SCHEMBL7612849 0.85 SMN1; SMN2 (0.36) HDAC3HDAC1HDAC2SMN1; SMN2RAB9A
SCHEMBL18631971 0.83 HDAC3 (0.31) HDAC3HDAC1HDAC2SMN1; SMN2RAB9A
SCHEMBL5716604 0.80 ICMT (0.36) HDAC3HDAC1HDAC2SMN1; SMN2MEN1
SCHEMBL15660417 0.79 TSHR (0.33) ACHESLC9A1TLR8
SCHEMBL5715633 0.79 HTR7 (0.32) HDAC3HDAC1HDAC2ALDH1A1NFE2L2
SCHEMBL15660148 0.78 KCNH2 (0.35) SMN1; SMN2L3MBTL1TDP1SLC9A1
SCHEMBL15659414 0.76 TLR8 (0.41) TLR8
SCHEMBL6797541 0.75 ICMT (0.35) HDAC3HDAC1HDAC2SMN1; SMN2MEN1
SCHEMBL15659172 0.75 HTR1B (0.38) L3MBTL1ALDH1A1TDP1TLR8

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-1661900-A1 Olefin polymerization cocatalysts derived from group-15 cationic compounds and processes using them ExxonMobil Chemical Patents Inc. (US) 2006-05-31 EP disclosed