SCHEMBL6335019

SCHEMBL6335019

C=CCCCCCCCCCOC(=O)C(Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 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
SCHEMBL28485593 0.84 CES2 (0.42) CYP2C19TDP1ALDH1A1L3MBTL1NPC1
SCHEMBL7116430 0.80 TDP1 (0.46) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29819688 0.79 CHRM1 (0.49) TDP1ALDH1A1SMN1; SMN2LMNACHRM2
SCHEMBL28356627 0.77 FAAH (0.37) CYP2C19TDP1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6821332 0.77 TDP1 (0.71) TDP1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL4806447 0.77 TDP1 (0.71) TDP1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL31746274 0.77 TDP1 (0.71) TDP1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL2420020 0.76 TSHR (0.54) TDP1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL3165169 0.76 ALPI (0.47) LMNA
SCHEMBL6334265 0.75 NPC1 (0.44) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949292-B2 of polymers or oligomers with controlled structure on arbitrary solid surfaces; \"living\"/controlled free radical reaction BOETTCHER HENRIK 2005-09-27 US disclosed
US-20040142171-A1 of polymers or oligomers with controlled structure on arbitrary solid surfaces; \"living\"/controlled free radical reaction BOTTCHER HENRIK (DE) 2004-07-22 US disclosed
US-6653415-B1 Atom transfer radical polymerization (ATRP) by reaction with initiator BOETTCHER HENRIK (DE) 2003-11-25 US disclosed