SCHEMBL7443773

SCHEMBL7443773

CCC[C@H](NC(=O)C(O)C(CC(F)(F)F)N(C=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.36
METAP1 P53582 2/20 0.36
GPR88 Q9GZN0 13/20 0.35
UTS2R Q9UKP6 4/20 0.34
TACR3 P29371 1/20 0.33

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
SCHEMBL7431633 1.00 METAP2 (0.36) METAP2METAP1GPR88UTS2RTACR3
SCHEMBL7431641 1.00 METAP2 (0.36) METAP2METAP1GPR88UTS2RTACR3
SCHEMBL7429954 0.92 ALDH1A1 (0.37) METAP2METAP1TACR3
SCHEMBL7442611 0.92 ALDH1A1 (0.37) METAP2METAP1TACR3
SCHEMBL7429949 0.92 ALDH1A1 (0.37) METAP2METAP1TACR3
SCHEMBL7440649 0.87 TSHR (0.36)
SCHEMBL7442501 0.86 MEN1 (0.41)
SCHEMBL7441757 0.84 POLB (0.37) GPR88
SCHEMBL7441749 0.84 POLB (0.37) GPR88
SCHEMBL7439032 0.82 MMP2 (0.41) METAP2METAP1GPR88

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