SCHEMBL11116547

SCHEMBL11116547

CCCCCC(=O)Oc1ccc(C(=O)OC2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
NAAA Q02083 2/20 0.58
STS P08842 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ESR1 P03372 2/20 0.45
SLC22A2 O15244 1/20 0.45
TMPRSS2 O15393 1/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PLG P00747 1/20 0.45

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
SCHEMBL10069272 0.94 KMT2A (0.51) ALDH1A1HTTNAAASTSSMN1; SMN2
SCHEMBL12436506 0.92 KMT2A (0.53) ALDH1A1HTTNAAASMN1; SMN2KMT2A
SCHEMBL11119716 0.87 ALDH1A1 (0.46) ALDH1A1HTTNAAASMN1; SMN2KMT2A
SCHEMBL11115164 0.87 ALDH1A1 (0.46) ALDH1A1HTTNAAASTSSMN1; SMN2
SCHEMBL11115166 0.87 ALDH1A1 (0.46) ALDH1A1HTTNAAASTSSMN1; SMN2
SCHEMBL11119712 0.87 ALDH1A1 (0.46) ALDH1A1HTTNAAASMN1; SMN2KMT2A
SCHEMBL11118005 0.84 ALDH1A1 (0.48) ALDH1A1HTTNAAASTSSMN1; SMN2
SCHEMBL11118007 0.84 ALDH1A1 (0.48) ALDH1A1HTTNAAASTSSMN1; SMN2
SCHEMBL22996789 0.83 STS (0.54) ALDH1A1HTTSTSSMN1; SMN2NPC1
SCHEMBL11115685 0.83 ALDH1A1 (0.49) ALDH1A1HTTNAAASTSSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478741-A 4-Alkylcyclohexyl 4-alkanoyloxybenzoate and liquid crystal composition thereof SHARP KABUSHIKI KAISHA (JP) 1984-10-23 US disclosed