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Sugi Predict / Compounds / SCHEMBL7434771

SCHEMBL7434771

SCHEMBL7434771

CCC(NC(=O)C(O)C(CC(F)(F)F)N(C=O)OC(C)(C)C)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 14/20 0.38
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRB2 P47870 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
SCHEMBL7434780 1.00 UTS2R (0.38) UTS2RSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7430561 0.89 METAP2 (0.44) UTS2RSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7430552 0.89 METAP2 (0.44) UTS2RSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7429954 0.89 ALDH1A1 (0.37) METAP2METAP1
SCHEMBL7429949 0.89 ALDH1A1 (0.37) METAP2METAP1
SCHEMBL7442580 0.83 UTS2R (0.37) UTS2RSLC6A2SLC6A4SLC6A3GABRB1
SCHEMBL7442591 0.83 UTS2R (0.37) UTS2RSLC6A2SLC6A4SLC6A3GABRB1
SCHEMBL7431633 0.81 METAP2 (0.36) UTS2RMETAP2METAP1
SCHEMBL7431641 0.81 METAP2 (0.36) UTS2RMETAP2METAP1
SCHEMBL7443773 0.81 METAP2 (0.36) UTS2RMETAP2METAP1

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