SCHEMBL6904444

SCHEMBL6904444

CCC1=C(CC)C(CC)=C([Zr](=C(c2ccccc2)c2ccccc2)C2c3cc(CC)ccc3-c3ccc(CC)cc32)C1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5082727 0.89 NPSR1 (0.33) LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL19056264 0.88 NPSR1 (0.32) LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL19056268 0.86
SCHEMBL6900546 0.86
SCHEMBL6906603 0.86 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL6898919 0.81 NPC1 (0.31) NPC1ALDH1A1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL17698603 0.79 NPC1 (0.32) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL5080277 0.79
SCHEMBL6905368 0.79
Hydrochloric Acid SCHEMBL19056288 0.78

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-1473323-A1 Polyethylene composition and process for producing same Tosoh Corporation (JP) 2004-11-03 EP disclosed