SCHEMBL21065409

SCHEMBL21065409

CN(CCCC1(c2ccc(Cl)cc2)OCc2c(Cl)cccc21)CC(=O)O.C[C@@H](C(=O)O)N(C)CCCC1(c2ccc(Cl)cc2)OCc2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 1/20 0.39

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
SCHEMBL21065410 1.00 SLC6A4 (0.43) SLC6A4LMNAMAPK1ACHE
SCHEMBL3405419 0.88 SLC6A4 (0.46) SLC6A4LMNAMAPK1
SCHEMBL30130464 0.88 SLC6A4 (0.46) SLC6A4LMNAMAPK1
SCHEMBL3408122 0.88 SLC6A4 (0.52) SLC6A4LMNAMAPK1
SCHEMBL3408118 0.88 SLC6A4 (0.52) SLC6A4LMNAMAPK1
Hydrochloric Acid SCHEMBL6168146 0.87 SLC6A4 (0.45) SLC6A4LMNAMAPK1
Hydrochloric Acid SCHEMBL6167899 0.87 SLC6A4 (0.51) SLC6A4LMNAMAPK1
Hydrochloric Acid SCHEMBL6167895 0.87 SLC6A4 (0.51) SLC6A4LMNAMAPK1
SCHEMBL5995940 0.85 SLC6A4 (0.54) SLC6A4LMNAMAPK1ACHE
SCHEMBL30130472 0.80 SLC6A4 (0.44) SLC6A4LMNAMAPK1

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-3006023-B1 SORBIC ACID AND DERIVATIVES THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2019-06-26 EP disclosed