SCHEMBL11563166

SCHEMBL11563166

CCCCN(CCCC)C(=O)Oc1ccc(SCC(OCC)OCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A1 P18405 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.34
THRB P10828 2/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRA P10827 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL11562985 0.88 MEN1 (0.42) MEN1KMT2ASRD5A1CYP3A4CYP2C19
SCHEMBL11567376 0.88 MEN1 (0.42) MEN1KMT2ASRD5A1CYP3A4CYP2C19
SCHEMBL11568684 0.81 KMT2A (0.47) MEN1KMT2ASRD5A1SMN1; SMN2HSD17B10
SCHEMBL17400964 0.75 APP (0.44) MEN1KMT2ARAB9ACYP1A2
SCHEMBL11566247 0.68 CYP1A2 (0.33) MEN1KMT2ACYP3A4CYP2C19ACHE
SCHEMBL3483258 0.68 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2RAB9ATHRB
SCHEMBL6754891 0.68 MEN1 (0.51) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL22450141 0.68 MEN1 (0.61) MEN1KMT2ACYP3A4CYP2C19ACHE
SCHEMBL11566569 0.68 ALDH1A1 (0.41) RAB9AMAPT
SCHEMBL227330 0.67 MAOA (0.55) MEN1KMT2ASMN1; SMN2RAB9A

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-4163112-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 US disclosed