SCHEMBL7376950

SCHEMBL7376950

CCC[C@H](NC(=O)C(Cc1cccs1)CS(=O)(=O)C(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
PGGT1B P53609 2/20 0.48
CYP2C19 P33261 1/20 0.41
CTSK P43235 2/20 0.41
CTSS P25774 1/20 0.41
BACE1 P56817 2/20 0.41
MME P08473 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
USP30 Q70CQ3 2/20 0.38
CTSC P53634 2/20 0.38
FOLH1 Q04609 2/20 0.38
RAB9A P51151 1/20 0.38
HSPA5 P11021 1/20 0.37

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
SCHEMBL9726975 0.90 CTSK (0.40) FNTAFNTBPGGT1BCYP2C19CTSK
SCHEMBL7378502 0.84 HDAC3 (0.53) MMEHDAC3HDAC4HDAC1HDAC2
SCHEMBL8910216 0.82 CYP2C19 (0.54) FNTAFNTBPGGT1BCYP2C19CTSK
SCHEMBL9444929 0.82 CYP2C19 (0.54) FNTAFNTBPGGT1BCYP2C19CTSK
SCHEMBL7372917 0.82 CYP2C19 (0.54) FNTAFNTBPGGT1BCYP2C19CTSK
SCHEMBL7371297 0.78 HRH4 (0.50) CTSKCTSSMMEHDAC3HDAC4
SCHEMBL6443866 0.78 MME (0.55) MME
SCHEMBL6443858 0.78 MME (0.55) MME
SCHEMBL5870216 0.73 CYP2C19 (0.55) CYP2C19CTSKCTSSBACE1MME
SCHEMBL10438877 0.71 CTSK (0.38) CYP2C19CTSKCTSSHSPA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371467-A2 Beta-amino boron acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-06 EP disclosed
EP-0354522-A1 Use of alpha-aminoboronic acid derivatives in prevention and treatement of viral diseases HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-14 EP disclosed
EP-0315574-A2 Renin inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-10 EP disclosed