SCHEMBL18211778

SCHEMBL18211778

CCCCn1cc[n+](CCCCCCCCCCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSP90AA1 P07900 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FDPS P14324 5/20 0.46
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL22667793 1.00 MEN1 (0.55) MEN1KMT2AHSP90AA1SMN1; SMN2FDPS
SCHEMBL18307196 0.91 MEN1 (0.49) MEN1KMT2AHSP90AA1SMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL27744829 0.89 MEN1 (0.55) MEN1KMT2AHSP90AA1SMN1; SMN2FDPS
Bicarbonate SCHEMBL23698539 0.87 MEN1 (0.59) MEN1KMT2AHSP90AA1SMN1; SMN2FDPS
Bicarbonate SCHEMBL23698426 0.87 MEN1 (0.59) MEN1KMT2AHSP90AA1SMN1; SMN2FDPS
Bicarbonate SCHEMBL28553511 0.87 MEN1 (0.59) MEN1KMT2AHSP90AA1SMN1; SMN2FDPS
SCHEMBL27206398 0.85 MEN1 (0.44) MEN1KMT2AHSP90AA1SMN1; SMN2FDPS
SCHEMBL5284441 0.85 MEN1 (0.58) MEN1KMT2AHSP90AA1SMN1; SMN2FDPS
SCHEMBL407576 0.85 MEN1 (0.58) MEN1KMT2AHSP90AA1SMN1; SMN2FDPS
SCHEMBL5301732 0.85 MEN1 (0.58) MEN1KMT2AHSP90AA1SMN1; SMN2FDPS

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 2 patents. 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
US-20160329161-A1 CARRIER SYSTEM AND PHOTOELECTRIC CONVERSION DEVICE ADEKA CORPORATION (JP) 2016-11-10 US disclosed