SCHEMBL28398141

SCHEMBL28398141

CC(C)OC(=O)OCOP(=O)(COC(C)Cn1cnc2c(N)ncnc21)NC(Cc1ccccc1)C(=O)OC(C)C

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.69
CYP3A4 P08684 14/20 0.52
SERPINA3 P01011 1/20 0.52
CYP2D6 P10635 14/20 0.47

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
SCHEMBL28398140 1.00 FAP (0.69) FAPCYP3A4SERPINA3CYP2D6
SCHEMBL28398142 1.00 FAP (0.69) FAPCYP3A4SERPINA3CYP2D6
Fumaric Acid SCHEMBL28393666 0.97 FAP (0.72) FAPCYP3A4SERPINA3CYP2D6
Fumaric Acid SCHEMBL28393664 0.97 FAP (0.72) FAPCYP3A4SERPINA3CYP2D6
SCHEMBL20041164 0.87 CYP3A4 (0.55) FAPCYP3A4SERPINA3CYP2D6
SCHEMBL24808634 0.84 CYP3A4 (0.55) FAPCYP3A4SERPINA3CYP2D6
SCHEMBL24808637 0.84 CYP3A4 (0.55) FAPCYP3A4SERPINA3CYP2D6
SCHEMBL24808639 0.84 CYP3A4 (0.55) FAPCYP3A4SERPINA3CYP2D6
SCHEMBL20041172 0.83 FAP (0.60) FAPCYP3A4CYP2D6
SCHEMBL20041219 0.83 FAP (0.60) FAPCYP3A4CYP2D6

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
CN-111018915-A Tenofovir styrene acrylate based phosphoramidate compound and pharmaceutical composition and application thereof 佛山科学技术学院 2020-04-17 CN disclosed