SCHEMBL7435933

SCHEMBL7435933

Cc1ccc(NC(=O)C(O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
CCR2 P41597 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.40
CISD2 Q8N5K1 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7443714 0.89 RAB9A (0.43) SMN1; SMN2MAPTPOLBATMMEN1
SCHEMBL7443775 0.80 SMN1; SMN2 (0.51) SMN1; SMN2MAPTPOLBATMCCR2
SCHEMBL8297312 0.76 SMN1; SMN2 (0.63) SMN1; SMN2MAPTPOLBATMMEN1
SCHEMBL7445788 0.75 CA1 (0.45)
SCHEMBL7438236 0.75 CA1 (0.45)
SCHEMBL7443440 0.74 CA1 (0.48)
SCHEMBL8334464 0.73 CTSS (0.56) SMN1; SMN2MAPTPOLBATMMEN1
SCHEMBL7440652 0.73 CTSK (0.47) MAPTATM
SCHEMBL7442497 0.73 CTSK (0.49) POLBMEN1KMT2A
SCHEMBL7429906 0.73 CTSK (0.49) ATM

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-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 US disclosed