SCHEMBL5755571

SCHEMBL5755571

O=C(NCC(NCc1cccs1)C(Cc1ccc(Oc2ccccc2)cc1)SCC1CCCCC1)c1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.36
GPR88 Q9GZN0 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK14 Q16539 1/20 0.35
CACNA1B Q00975 1/20 0.35
PNLIP P16233 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CTSK P43235 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
NPY5R Q15761 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL5755085 0.93 SMN1; SMN2 (0.40) HPGDGPR88MEN1KMT2AALDH1A1
SCHEMBL5753527 0.88 NPC1 (0.39) HPGDKMT2ACACNA1BPNLIPALDH1A1
SCHEMBL5754702 0.82 CACNA1B (0.34) CACNA1BPNLIPALDH1A1HTTSMN1; SMN2
SCHEMBL5754577 0.81 REN (0.39) KMT2A
SCHEMBL5756749 0.80 POLB (0.41) HPGDKMT2ACACNA1BPNLIPALDH1A1
SCHEMBL5755208 0.80 CACNA1B (0.36) HPGDCACNA1BPNLIPALDH1A1HTT
SCHEMBL5755403 0.79 CACNA1B (0.40) CACNA1B
SCHEMBL5753832 0.79 CACNA1B (0.36) CACNA1BPNLIPHRH3NPY5RCTSS
SCHEMBL5754438 0.78 CACNA1B (0.51) CACNA1BPNLIPALDH1A1NPY5RCTSS
SCHEMBL5759035 0.76 CACNA1B (0.49) MEN1KMT2ACACNA1B

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-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed