SCHEMBL5696191

SCHEMBL5696191

O[C@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@H]21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
CTNNB1 P35222 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KMT2A Q03164 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
SCHEMBL821102 1.00 POLB (0.50) POLBGAAALDH1A1LMNAMAPT
SCHEMBL5696179 1.00 POLB (0.50) POLBGAAALDH1A1LMNAMAPT
SCHEMBL5905681 0.83 ALDH1A1 (0.40) POLBGAAALDH1A1
SCHEMBL12863963 0.79 POLB (0.33) POLBGAA
SCHEMBL5704759 0.74 POLB (0.50) POLBGAAALDH1A1LMNAMAPT
Acetic Acid SCHEMBL14060961 0.74 GAA (0.33) POLBGAAALDH1A1
SCHEMBL17717463 0.72 POLB (0.45) POLBGAAALDH1A1LMNAMAPT
SCHEMBL17717467 0.71 POLB (0.44) POLBGAAALDH1A1LMNAMAPT
SCHEMBL18272567 0.71 POLB (0.44) POLBGAAALDH1A1LMNAMAPT
Propionic Acid SCHEMBL1203115 0.70 GAA (0.31) POLBGAAALDH1A1

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-1293555-B1 Perfuming compounds SYMRISE GMBH & CO KG (DE) 2006-06-07 EP disclosed
EP-1293555-A2 Perfuming compounds Dragoco Gerberding & Co Aktiengesellschaft (DE) 2003-03-19 EP disclosed