SCHEMBL7448549

SCHEMBL7448549

C[C@H](NC(=O)C(O)C(CC(F)(F)F)N(C=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
CPB2 Q96IY4 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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
SCHEMBL7448536 1.00 METAP2 (0.35) METAP2CA12CA1CA2MMP2
SCHEMBL7443434 0.85
SCHEMBL7447134 0.80 CA12 (0.34) CA12CA1CA2MMP2CA9
SCHEMBL7447154 0.80 CA12 (0.34) CA12CA1CA2MMP2CA9
SCHEMBL7445784 0.78
SCHEMBL7438232 0.78
SCHEMBL7442501 0.75 MEN1 (0.41)
SCHEMBL7444113 0.74 PGD (0.32)
SCHEMBL7448540 0.74 CTSS (0.42) METAP2CA12CA1CA2MMP2
SCHEMBL7440649 0.74 TSHR (0.36) MMP2

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