SCHEMBL28111008

SCHEMBL28111008

CC(O)([CH]c1ccccc1)CCCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.36
EGFR P00533 1/20 0.36
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNFRSF1A P19438 2/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLIN1 O60240 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
RECQL P46063 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28021109 0.82 EGFR (0.37) CYP1B1EGFRGLATDP1MAPT
SCHEMBL8474272 0.78 MEN1 (0.36) EGFRGLATDP1MAPTNPC1
SCHEMBL6130600 0.72 CYP2C19 (0.41) EGFRGLATDP1MAPTNPC1
SCHEMBL17629414 0.72 CYP2C19 (0.41) EGFRGLATDP1MAPTNPC1
SCHEMBL117473 0.69 CYP2C19 (0.43) LMNAKMT2ACYP2C19ALDH1A1CYP3A4
SCHEMBL631267 0.68 L3MBTL1 (0.40) EGFRGLATDP1NPC1LMNA
SCHEMBL631266 0.68 L3MBTL1 (0.40) EGFRGLATDP1NPC1LMNA
SCHEMBL27953917 0.68 ALDH1A1 (0.38) EGFRGLATDP1LMNATSHR
SCHEMBL3073246 0.67 MEN1 (0.41) GLATDP1NPC1LMNATSHR
SCHEMBL512987 0.67 ALDH1A1 (0.41) EGFRGLATDP1LMNATSHR

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
CN-104844430-B A kind of preparation method of light trigger 4 '-methylol-2-hydroxy-2-methyl-1-phenyl-1-propyl group ketone 三峡大学 2017-01-04 CN claimed