SCHEMBL8699092

SCHEMBL8699092

CCC(OC)c1cccc(C(CC)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.47
LMNA P02545 1/20 0.37
HDAC4 P56524 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC2 Q92769 1/20 0.35
BCHE P06276 1/20 0.34
TYR P14679 1/20 0.34
ACHE P22303 1/20 0.34
CASR P41180 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HTR6 P50406 1/20 0.33
HKDC1 Q2TB90 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
SCHEMBL8750489 0.88 AOC3 (0.63) AOC3ACHETAAR1
SCHEMBL14587087 0.86 AOC3 (0.64) AOC3
SCHEMBL11208105 0.86 AOC3 (0.45) AOC3
SCHEMBL14587086 0.86 IDO1 (0.42) AOC3TAAR1
SCHEMBL25910678 0.86 SLC22A1 (0.47) AOC3LMNAHIF1A
SCHEMBL14587100 0.86 AOC3 (0.64) AOC3HTR6
SCHEMBL8269660 0.84 LMNA (0.48) AOC3LMNAMEN1KMT2ATAAR1
SCHEMBL11915432 0.84 LMNA (0.48) AOC3LMNAMEN1KMT2ATAAR1
SCHEMBL1068693 0.84 LMNA (0.48) AOC3LMNAMEN1KMT2ATAAR1
SCHEMBL15201759 0.82 LMNA (0.46) LMNAMEN1KMT2ATAAR1HKDC1

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
WO-1998008837-A1 PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FARMACON, INC. (US) 1998-03-05 WO disclosed