SCHEMBL18822722

SCHEMBL18822722

C[C@@H](CSCC(F)(F)F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.37
▸ GABRR1 P24046 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ FOLH1 Q04609 2/20 0.31
▸ NAALAD2 Q9Y3Q0 2/20 0.31
▸ ENPEP Q07075 2/20 0.31
▸ BLM P54132 1/20 0.31
▸ ACE P12821 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
SCHEMBL19201869 0.82 EPHX1 (0.33) —
SCHEMBL9735358 0.80 APEX1 (0.36) APEX1GABRR1CYP1A2
SCHEMBL7845774 0.79 GABRR1 (0.46) APEX1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL9240028 0.77 OR51E2 (0.37) —
SCHEMBL7397212 0.77 OR51E2 (0.37) —
SCHEMBL20763602 0.75 ARG1 (0.48) —
SCHEMBL18822325 0.75 ARG1 (0.48) —
SCHEMBL17530133 0.75 GABRR1 (0.42) APEX1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL19136510 0.75 MTNR1A (0.33) —
SCHEMBL15346472 0.74 GABRR1 (0.38) APEX1GABRR1CYP1A2FOLH1NAALAD2

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
WO-2017075505-A2 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2017-05-04 — — WO disclosed
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