SCHEMBL8049433

SCHEMBL8049433

CCCCCCCCCCCCC(CC)C(=S)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.46
ACAT1 P24752 1/20 0.46
SOAT1 P35610 1/20 0.46
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.32
ESR1 P03372 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.30
HDAC8 Q9BY41 4/20 0.30
HDAC3 O15379 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL8041447 0.94 SOAT2 (0.47) SOAT2ACAT1SOAT1LMNAALDH1A1
SCHEMBL8042243 0.92 SOAT2 (0.46) SOAT2ACAT1SOAT1LMNAALDH1A1
SCHEMBL8043457 0.86 SOAT1 (0.47) SOAT2ACAT1SOAT1LMNAALDH1A1
SCHEMBL8049340 0.84 SOAT1 (0.45) SOAT2ACAT1SOAT1LMNAALDH1A1
SCHEMBL5900901 0.80 SOAT2 (0.57) SOAT2ACAT1SOAT1LMNAALDH1A1
SCHEMBL668293 0.80 SOAT2 (0.57) SOAT2ACAT1SOAT1LMNAALDH1A1
SCHEMBL8417196 0.79 SOAT2 (0.42) SOAT2ACAT1SOAT1LMNAALDH1A1
SCHEMBL893576 0.77 SOAT1 (0.47) SOAT2ACAT1SOAT1LMNAALDH1A1
SCHEMBL8416085 0.76 SOAT2 (0.44) SOAT2ACAT1SOAT1LMNAALDH1A1
SCHEMBL9446304 0.75 SOAT2 (0.57) SOAT2ACAT1SOAT1LMNAALDH1A1

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
EP-0874812-B1 NOVEL 2,3,5-TRIMETHYL-4-HYDROXY ANILIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF PF MEDICAMENT (FR) 2000-04-05 EP disclosed