SCHEMBL18307196

SCHEMBL18307196

O=C(O)CCCCCCCCCCn1cc[n+](CCCCCCCCCCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TBXAS1 P24557 3/20 0.47
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
FDPS P14324 10/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL18211778 0.91 MEN1 (0.55) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL22667793 0.91 MEN1 (0.55) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL27206398 0.90 MEN1 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2TBXAS1
SCHEMBL18211783 0.87 MEN1 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2TBXAS1
SCHEMBL22667804 0.84 ALDH1A1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2TBXAS1
Bromide SCHEMBL26978863 0.83 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL18211781 0.82 TSHR (0.40) MEN1KMT2ATBXAS1PTGS1PTGS2
SCHEMBL18211771 0.82 TSHR (0.40) MEN1KMT2ATBXAS1PTGS1PTGS2
SCHEMBL22916707 0.82 TSHR (0.40) MEN1KMT2ATBXAS1PTGS1PTGS2
SCHEMBL18211773 0.82 TSHR (0.40) MEN1KMT2ATBXAS1PTGS1PTGS2

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-3104383-A1 CARRIER AND PHOTOELECTRIC CONVERSION ELEMENT Adeka Corporation (JP) 2016-12-14 EP disclosed