SCHEMBL7440649

SCHEMBL7440649

CC(C)(C)ON(C=O)C(CC(F)(F)F)C(O)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MMP2 P08253 6/20 0.36
MMP3 P08254 3/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MDM4 O15151 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MDM2 Q00987 1/20 0.34
S1PR3 Q99500 1/20 0.33
KMT2A Q03164 2/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL7442501 0.91 MEN1 (0.41) CTSKMAPTKMT2AMEN1
SCHEMBL7442611 0.89 ALDH1A1 (0.37) TSHRMMP2MMP3LMNAMAPT
SCHEMBL7429949 0.89 ALDH1A1 (0.37) TSHRMMP2MMP3LMNAMAPT
SCHEMBL7441757 0.89 POLB (0.37) CTSSCTSKKMT2AMEN1
SCHEMBL7441749 0.89 POLB (0.37) CTSSCTSKKMT2AMEN1
SCHEMBL7429954 0.89 ALDH1A1 (0.37) TSHRMMP2MMP3LMNAMAPT
SCHEMBL7443773 0.87 METAP2 (0.36)
SCHEMBL7431633 0.87 METAP2 (0.36)
SCHEMBL7431641 0.87 METAP2 (0.36)
SCHEMBL7429900 0.83 KMT2A (0.39) TSHRLMNAMAPTKMT2AMEN1

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