SCHEMBL8622716

SCHEMBL8622716

CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CNC(C)=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.78
▸ CYP2D6 P10635 3/20 0.78
▸ MAPK1 P28482 3/20 0.78
▸ TP53 P04637 2/20 0.78
▸ CYP1A2 P05177 2/20 0.78
▸ CYP2C9 P11712 2/20 0.78
▸ CYP2C19 P33261 2/20 0.78
▸ CETP P11597 6/20 0.74
▸ MEN1 O00255 4/20 0.74
▸ KMT2A Q03164 4/20 0.74
▸ THRB P10828 3/20 0.74
▸ ASAH1 Q13510 2/20 0.73
▸ ASAH2 Q9NR71 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ DEGS1 O15121 1/20 0.52
▸ PLA2G4A P47712 3/20 0.52
▸ GMNN O75496 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GLA P06280 2/20 0.49

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
Acetyl Ceramide SCHEMBL12648655 0.88 MAPT (1.00) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL12330743 0.88 MAPT (1.00) MAPTCYP2D6MAPK1TP53CYP1A2
Acetyl Ceramide SCHEMBL29144648 0.88 MAPT (1.00) MAPTCYP2D6MAPK1TP53CYP1A2
Acetyl Ceramide SCHEMBL1191825 0.88 MAPT (1.00) MAPTCYP2D6MAPK1TP53CYP1A2
Acetyl Ceramide SCHEMBL58536 0.88 MAPT (1.00) MAPTCYP2D6MAPK1TP53CYP1A2
Acetyl Ceramide SCHEMBL31683764 0.88 MAPT (1.00) MAPTCYP2D6MAPK1TP53CYP1A2
Acetyl Ceramide SCHEMBL29756043 0.88 MAPT (1.00) MAPTCYP2D6MAPK1TP53CYP1A2
Acetyl Ceramide SCHEMBL16892474 0.88 MAPT (1.00) MAPTCYP2D6MAPK1TP53CYP1A2
Acetyl Ceramide SCHEMBL21067736 0.88 MAPT (1.00) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL14175577 0.87 CETP (0.82) MAPTCYP2D6MAPK1TP53CYP1A2

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-5792858-A ACYLATING LYSOSPHINGOLIPIDS AND THEIR DERIVATIVES WITH AN ALIPHATIC ACID HAVING 2 TO 24 CARBON ATOMS, SUBSTITUTED BY ONE OR MORE POLAR GROUPS; PROTEIN-KINASE INHIBITOR, USEFUL FOR NERVOUS SYSTEM DISORDER TREATMENT FIDIA S.P.A. (IT) 1998-08-11 — — US disclosed
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