SCHEMBL4629941

SCHEMBL4629941

CCc1cc([O])ccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
KMT2A Q03164 1/20 0.39
CSNK2A1 P68400 3/20 0.38
PTGS1 P23219 1/20 0.38
ESR2 Q92731 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
BACE1 P56817 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4629945 0.87 MAPT (0.39) DPP4KMT2ACSNK2A1PTGS1ESR2
SCHEMBL4630596 0.84 PSMB5 (0.40)
SCHEMBL4629849 0.83 GPR84 (0.42)
SCHEMBL4629954 0.82 KMT2A (0.42) DPP4KMT2APTGS1LMNAMAPT
SCHEMBL9618333 0.82 SMN1; SMN2 (0.47) DPP4KMT2APTGS1MMP2MMP3
SCHEMBL4630629 0.81 BID (0.43)
SCHEMBL30112562 0.81 BACE1 (0.44) DPP4KMT2APTGS1ESR2BACE1
SCHEMBL30500513 0.80 NPC1 (0.53) DPP4KMT2ACSNK2A1CSNK2A2CSNK2B
SCHEMBL18569389 0.80 PTGDR2 (0.46) DPP4KMT2APTGS1ESR2MMP2
SCHEMBL6509941 0.78 PTGDR2 (0.45) DPP4KMT2AMMP2MMP3ALDH1A1

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-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed