SCHEMBL8227494

SCHEMBL8227494

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA3 P07451 2/20 0.30
CA5A P35218 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
CA12 O43570 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
HPSE Q9Y251 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
SCHEMBL19083913 0.82 POLB (0.38) ALDH1A1POLB
SCHEMBL24425304 0.82 CA2 (0.39) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6658444 0.82 CA2 (0.39) CA2ALDH1A1POLBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL25264601 0.80 CA2 (0.38) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL19083900 0.76 KDM4E (0.40) ALDH1A1SMN1; SMN2
SCHEMBL21286468 0.75 CA2 (0.43) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL30170310 0.74 CA2 (0.31) CA2
SCHEMBL30170322 0.74 CA2 (0.31) CA2
SCHEMBL29975028 0.72 CA2 (0.33) CA2
SCHEMBL1412322 0.71 CA2 (0.40) CA2ALDH1A1POLBSMN1; SMN2MEN1

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
EP-1042288-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-10-11 EP disclosed
WO-1999033801-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-07-08 WO disclosed