SCHEMBL8932447

SCHEMBL8932447

CCCCOC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 2/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ACE P12821 2/20 0.42
ACE2 Q9BYF1 2/20 0.42
BIRC2 Q13490 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL1721706 1.00 POLB (0.44) POLBGAARAB9ATSHRITGB3
SCHEMBL7308755 0.87 ITGB3 (0.54) ITGB3ITGA2BMEN1ALDH1A1LMNA
SCHEMBL2419128 0.85 ALDH1A1 (0.56) TSHRITGB3ITGA2BCYP3A4MEN1
SCHEMBL2861260 0.85 ALDH1A1 (0.56) TSHRITGB3ITGA2BCYP3A4MEN1
SCHEMBL3648356 0.85 POLB (0.38) POLBGAARAB9AITGB3ITGA2B
SCHEMBL864694 0.84 KLK5 (0.53) ITGB3ITGA2BACEMEN1ALDH1A1
SCHEMBL1819934 0.84 KLK5 (0.53) ITGB3ITGA2BACEMEN1ALDH1A1
SCHEMBL7442384 0.84 KLK5 (0.53) ITGB3ITGA2BACEMEN1ALDH1A1
SCHEMBL2854766 0.84 ALDH1A1 (0.46) GAARAB9ATSHRITGB3ITGA2B
SCHEMBL2854764 0.84 ALDH1A1 (0.46) GAARAB9ATSHRITGB3ITGA2B

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
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed