SCHEMBL7798918

SCHEMBL7798918

CCS(NC=O)(SCC(NC=O)C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GAA P10253 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA1 P00915 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MMP3 P08254 2/20 0.37
CA5A P35218 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
ANPEP P15144 1/20 0.36

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
SCHEMBL7799228 0.88 MME (0.40) POLBCA2ALDH1A1SMN1; SMN2CA1
SCHEMBL7798914 0.79 POLB (0.48) POLBCA2ALDH1A1SMN1; SMN2NPC1
SCHEMBL7803207 0.78 POLB (0.43) POLBCA2CA1CA5AMMP8
SCHEMBL7793442 0.78 POLB (0.43) POLBCA2ALDH1A1CA1CA5A
SCHEMBL7793421 0.78 POLB (0.43) POLBCA2CA1CA5AMMP8
SCHEMBL7799269 0.78 MTNR1A (0.45) POLBCA2CA1CA5AMMP8
SCHEMBL7798930 0.77 F10 (0.42) POLBCA2CA1CA5AMMP8
SCHEMBL7793398 0.77 L3MBTL1 (0.46) POLBCA2ALDH1A1SMN1; SMN2NPC1
SCHEMBL7793458 0.75 MMP1 (0.49) POLBGAAALDH1A1SMN1; SMN2MMP9
SCHEMBL7798895 0.74 NPC1 (0.50) SMN1; SMN2NPC1RAB9AMMP8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143960-A2 CYSTINE DERIVATIVES AS THERAPEUTIC AGENTS FOR MATRIX METALLOPROTEASE RELATED DISEASES Roche Diagnostics GmbH (DE) 2001-10-17 EP disclosed
WO-2000027378-A2 CYSTINE DERIVATIVES AS THERAPEUTIC AGENTS FOR MATRIX METALLOPROTEASE RELATED DISEASES ROCHE DIAGNOSTICS GMBH (DE) 2000-05-18 WO disclosed