SCHEMBL4662805

SCHEMBL4662805

CCC(CCO)c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.41
ACHE P22303 2/20 0.39
AOC3 Q16853 1/20 0.38
CYP19A1 P11511 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TRPA1 O75762 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KCNQ2 O43526 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35

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
SCHEMBL2444536 0.92 ACP3 (0.43) ACP3ACHEAOC3CYP19A1TAS1R3
SCHEMBL13958492 0.84 ACHE (0.50) ACP3ACHEAOC3CYP19A1LMNA
SCHEMBL20862381 0.81 PLAT (0.44) ACP3ACHEAOC3CYP19A1TAS1R3
SCHEMBL27715706 0.81 AOC3 (0.44) ACP3ACHEAOC3CYP19A1TDP1
SCHEMBL27453900 0.80 ACHE (0.46) ACP3ACHEAOC3CYP19A1SLC6A2
SCHEMBL27710909 0.80 TRPA1 (0.50) AOC3TRPA1LMNA
SCHEMBL1144424 0.80 TRPA1 (0.50) AOC3TRPA1LMNA
SCHEMBL18793698 0.80 TRPA1 (0.50) AOC3TRPA1LMNA
SCHEMBL9469383 0.80 ACP3 (0.44) ACP3TAS1R3TAS1R1TDP1KCNQ2
SCHEMBL24527613 0.79 AOC3 (0.42) ACP3ACHEAOC3CYP19A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1920042-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-14 EP disclosed
WO-2007028478-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed