SCHEMBL9775751

SCHEMBL9775751

CC(F)C(C)(NC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL24965898 0.86 CA2 (0.36) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL27028717 0.86 CA2 (0.36) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL27028761 0.79 EPHX1 (0.33) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL24633791 0.79 EPHX1 (0.33) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL27127818 0.79 EPHX1 (0.33) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL24633814 0.73 PIK3CD (0.31)
SCHEMBL4463196 0.72 KDM4C (0.42) CA2ALDH1A1POLBSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL4469009 0.70 KDM4C (0.41) CA2ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL24965166 0.69 SMN1; SMN2 (0.40) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL24965167 0.69 SMN1; SMN2 (0.40) CA2ALDH1A1POLBSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997985-A Alpha amino acid amide compounds which are useful intermediates in the preparation of herbicides CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
US-4895588-A Substituted imidazolones having herbicidal activity CIBA-GEIGY CORPORATION (US) 1990-01-23 US disclosed