SCHEMBL5044248

SCHEMBL5044248

CCO[C@H](C(=O)NCc1ccc(C(=N)N)cc1OCC(=O)NCCOC)c1c(F)cc(OC)cc1F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.61
F2 P00734 5/20 0.40
TP53 P04637 1/20 0.38
HPGD P15428 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRSS1 P07477 4/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TMPRSS15 P98073 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5044244 1.00 F10 (0.61) F10F2TP53HPGDL3MBTL1
Hydrochloric Acid SCHEMBL5041040 0.99 F10 (0.63) F10F2TP53HPGDL3MBTL1
Hydrochloric Acid SCHEMBL5041029 0.99 F10 (0.63) F10F2TP53HPGDL3MBTL1
SCHEMBL6450173 0.90 F10 (0.59) F10F2PRSS1TMPRSS15NPSR1
SCHEMBL6450166 0.90 F10 (0.59) F10F2PRSS1TMPRSS15NPSR1
Hydrochloric Acid SCHEMBL5037369 0.90 F10 (0.60) F10F2PRSS1TMPRSS15NPSR1
Hydrochloric Acid SCHEMBL5037357 0.90 F10 (0.60) F10F2PRSS1TMPRSS15NPSR1
SCHEMBL5045699 0.90 F10 (0.74) F10F2HPGDPRSS1
SCHEMBL5045716 0.90 F10 (0.74) F10F2HPGDPRSS1
Hydrochloric Acid SCHEMBL5047567 0.89 F10 (0.68) F10F2HPGDPRSS1

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
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP claimed