SCHEMBL11567376

SCHEMBL11567376

CCCCCCN(CCCCCC)C(=O)Oc1ccc(SCC(OCCCC)OCCCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRA P10827 4/20 0.42
THRB P10828 4/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PLA2G4B P0C869 1/20 0.36
SRD5A1 P18405 1/20 0.36
RARB P10826 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL11562985 0.95 MEN1 (0.42) MEN1KMT2ATHRATHRBCYP3A4
SCHEMBL11563166 0.88 MEN1 (0.44) MEN1KMT2ATHRATHRBCYP3A4
SCHEMBL11568684 0.79 KMT2A (0.47) MEN1KMT2ATP53SRD5A1SMN1; SMN2
SCHEMBL6754891 0.75 MEN1 (0.51) MEN1KMT2A
SCHEMBL11563123 0.73 MGLL (0.48)
SCHEMBL11566139 0.73 MGLL (0.45)
SCHEMBL9373248 0.70 MEN1 (0.46) MEN1KMT2A
SCHEMBL9160789 0.69 MEN1 (0.45) MEN1KMT2A
SCHEMBL11568349 0.69 MEN1 (0.52) MEN1KMT2ATHRATHRBTP53
SCHEMBL11566569 0.68 ALDH1A1 (0.41)

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