SCHEMBL8621869

SCHEMBL8621869

CCOC(=O)[C@@H](CN)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP3 P42574 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
CYP1A2 P05177 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ROCK1 Q13464 1/20 0.42
MYLK4 Q86YV6 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
HPGD P15428 1/20 0.40
AOC3 Q16853 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
SCHEMBL362371 1.00 MAPT (0.44) MAPTMEN1KMT2ACASP3TRPV1
Hydrochloric Acid SCHEMBL7344485 0.98 MAPT (0.43) MAPTMEN1KMT2ACASP3TRPV1
Hydrochloric Acid SCHEMBL19813484 0.98 MAPT (0.43) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL25211910 0.85 MAPT (0.45) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL21656311 0.85 ESR1 (0.49) MAPTMEN1KMT2ALMNAROCK1
SCHEMBL11641330 0.85 ESR1 (0.49) MAPTKMT2ACYP1A2LMNACYP2C9
SCHEMBL512129 0.83 MMP8 (0.53) MEN1KMT2ACYP1A2NPSR1KDM4E
SCHEMBL8912908 0.83 MMP8 (0.53) MEN1KMT2ACYP1A2NPSR1KDM4E
SCHEMBL30365390 0.82 MAPT (0.43) MAPTMEN1KMT2ACASP3TRPV1
SCHEMBL27810662 0.82 MAPT (0.47) MAPTMEN1KMT2ACASP3TRPV1

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-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed