SCHEMBL27952948

SCHEMBL27952948

C=C(C)C(=O)O[Si](C)(C)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 1/20 0.40
ELANE P08246 1/20 0.40
KEAP1 Q14145 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 1/20 0.37
PTGS2 P35354 1/20 0.37
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL475979 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDKEAP1NPC1
SCHEMBL27952938 0.83 ALDH1A1 (0.42) ALDH1A1ELANENPC1RAB9AKMT2A
SCHEMBL475978 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KEAP1NPC1RAB9A
SCHEMBL475996 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5839431 0.75 ALDH1A1 (0.43) ALDH1A1ELANETDP1
SCHEMBL42893 0.75 HCAR2 (0.51) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL7758123 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDKEAP1NPC1
SCHEMBL475994 0.74 HDAC3 (0.44) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
Ethylene Glycol SCHEMBL6490846 0.74 HCAR2 (0.47) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL18496533 0.74 MAPT (0.46) ALDH1A1SMN1; SMN2HPGDKMT2AHDAC3

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-103658097-A Cleaning process JOTUN AS 2014-03-26 CN disclosed