SCHEMBL10465441

SCHEMBL10465441

CCCCCCCCCCCCNC(CO)C(O)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ASAH1 Q13510 2/20 0.42
CYP2D6 P10635 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
CYP3A4 P08684 1/20 0.41
CETP P11597 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41

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
SCHEMBL30432362 0.89 MEN1 (0.57) KDM4EALDH1A1MEN1KMT2AASAH1
SCHEMBL4432269 0.89 MEN1 (0.57) KDM4EALDH1A1MEN1KMT2AASAH1
SCHEMBL30368691 0.89 MEN1 (0.57) KDM4EALDH1A1MEN1KMT2AASAH1
SCHEMBL898809 0.89 MEN1 (0.57) KDM4EALDH1A1MEN1KMT2AASAH1
SCHEMBL2727470 0.89 MEN1 (0.57) KDM4EALDH1A1MEN1KMT2AASAH1
SCHEMBL15239749 0.89 MEN1 (0.57) KDM4EALDH1A1MEN1KMT2AASAH1
SCHEMBL28696485 0.89 MEN1 (0.57) KDM4EALDH1A1MEN1KMT2AASAH1
SCHEMBL5718656 0.89 MEN1 (0.57) KDM4EALDH1A1MEN1KMT2AASAH1
SCHEMBL4550651 0.86 MEN1 (0.54) KDM4EALDH1A1MEN1KMT2AASAH1
SCHEMBL10872369 0.85 ALDH1A1 (0.53) KDM4EALDH1A1MEN1KMT2AASAH1

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-4943664-A Surfactant products containing 1,3,4-butanetriol GAF CHEMICALS CORPORATION (US) 1990-07-24 US disclosed