SCHEMBL7368900

SCHEMBL7368900

C=CC[C@@H]1C[C@@H](COOc2ccc(CCCCNC(=O)OC(C)(C)C)cc2)N(CCCc2ccc(OCc3ccccc3)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
LTA4H P09960 1/20 0.38
SSTR5 P35346 2/20 0.36
PSMB5 P28074 4/20 0.36
PSMB8 P28062 2/20 0.36
PSMB9 P28065 2/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
ABCB1 P08183 1/20 0.35
ACACB O00763 1/20 0.35
PSMB1 P20618 3/20 0.35
PSMB2 P49721 2/20 0.35
BCHE P06276 1/20 0.35
EPHX2 P34913 2/20 0.35
HDAC1 Q13547 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7275517 0.95 SIGMAR1 (0.43) SIGMAR1LTA4HSSTR5PSMB5PSMB8
SCHEMBL7283476 0.91 SIGMAR1 (0.45) SIGMAR1NPSR1
SCHEMBL7274358 0.91 SIGMAR1 (0.44) SIGMAR1NPSR1
SCHEMBL7282368 0.89 SIGMAR1 (0.44) SIGMAR1NPSR1
SCHEMBL7280624 0.88 SIGMAR1 (0.45) SIGMAR1ALDH1A1
SCHEMBL7275258 0.87 CA12 (0.41) SIGMAR1
SCHEMBL7274234 0.86 SIGMAR1 (0.44) SIGMAR1LTA4HSSTR5PSMB5PSMB8
SCHEMBL7272287 0.86 SIGMAR1 (0.42) SIGMAR1NPSR1
SCHEMBL7281590 0.85 SIGMAR1 (0.44) SIGMAR1ACACBNPSR1
SCHEMBL7274557 0.83 SIGMAR1 (0.44) SIGMAR1ACACB

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
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed