SCHEMBL9443640

SCHEMBL9443640

CCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ FAAH O00519 2/20 0.54
▸ EPHX2 P34913 1/20 0.52
▸ CERT1 Q9Y5P4 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ SIRT2 Q8IXJ6 2/20 0.50
▸ ASAH1 Q13510 1/20 0.50
▸ ACER2 Q5QJU3 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ PSMB5 P28074 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL8823462 1.00 MEN1 (0.54) MEN1KMT2AFAAHEPHX2CERT1
SCHEMBL9390499 1.00 MEN1 (0.54) MEN1KMT2AFAAHEPHX2CERT1
SCHEMBL28252274 0.99 MEN1 (0.52) MEN1KMT2AFAAHEPHX2CERT1
SCHEMBL28252275 0.99 MEN1 (0.52) MEN1KMT2AFAAHEPHX2CERT1
SCHEMBL29879976 0.89 MEN1 (0.53) MEN1KMT2AFAAHEPHX2ALDH1A1
Hydrochloric Acid SCHEMBL8823455 0.88 MEN1 (0.52) MEN1KMT2AFAAHEPHX2ALDH1A1
SCHEMBL9838107 0.88 MEN1 (0.53) MEN1KMT2AFAAHEPHX2ALDH1A1
SCHEMBL22271575 0.88 MEN1 (0.53) MEN1KMT2AFAAHEPHX2ALDH1A1
SCHEMBL8162401 0.88 MEN1 (0.53) MEN1KMT2AFAAHEPHX2ALDH1A1
SCHEMBL4065856 0.88 MEN1 (0.53) MEN1KMT2AFAAHEPHX2ALDH1A1

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-5243035-A Drug delivery DRUG DELIVERY SYSTEM INSTITUTE, LTD. (JP) 1993-09-07 — — US disclosed
EP-0489162-A1 DERIVATIVE OF GLYCOLIPID CONTAINING SIALIC ACID DRUG DELIVERY SYSTEM INSTITUTE, LTD. (JP) 1992-06-10 — — EP disclosed
Send feedback