SCHEMBL9696034

SCHEMBL9696034

CCCCCCCCCCCCCCCCOCCSCCO

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HTT P42858 2/20 0.61
THRB P10828 1/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.44
CES2 O00748 2/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CES1 P23141 1/20 0.39
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
PLA2G4B P0C869 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9695341 1.00 MEN1 (0.61) MEN1KMT2AHTTTHRBMAPT
Thiodiglycol SCHEMBL9177341 0.96 MEN1 (0.65) MEN1KMT2AHTTTHRBMAPT
SCHEMBL11081916 0.90 MEN1 (0.59) MEN1KMT2AHTTTHRBMAPT
SCHEMBL6694682 0.89 HTT (0.54) MEN1KMT2AHTTTHRBMAPT
SCHEMBL7637734 0.89 HTT (0.54) MEN1KMT2AHTTTHRBMAPT
SCHEMBL10931986 0.86 MEN1 (0.53) MEN1KMT2AHTTTHRBMAPT
SCHEMBL11086847 0.86 TSHR (0.54) MEN1KMT2AHTTTHRBMAPT
SCHEMBL11282019 0.85 TDP1 (0.46) MEN1KMT2AHTTTHRBMAPT
SCHEMBL11086153 0.84 MEN1 (0.61) MEN1KMT2AHTTTHRBMAPT
SCHEMBL11080723 0.84 MEN1 (0.61) MEN1KMT2AHTTTHRBMAPT

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
US-5134151-A Platelet Activating Factor Antagonist J. URIACH & CIA (ES) 1992-07-28 US disclosed
EP-0385490-A1 2-picolylamine derivates J. URIACH & CIA. S.A. (ES) 1990-09-05 EP disclosed