SCHEMBL21783281

SCHEMBL21783281

OC1C[C@H](COCc2ccccc2)C[C@H](OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PDE4D Q08499 1/20 0.41
FFAR1 O14842 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.41
TSHR P16473 1/20 0.40
AGTR2 P50052 1/20 0.40
SLC18A3 Q16572 1/20 0.38

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
SCHEMBL21783287 1.00 NAAA (0.43) NAAABCHEACHEPDE4DFFAR1
SCHEMBL477463 0.89 TSHR (0.50) NAAABCHEACHEPDE4DCTSL
SCHEMBL477464 0.89 TSHR (0.50) NAAABCHEACHEPDE4DCTSL
SCHEMBL598878 0.89 TSHR (0.50) NAAABCHEACHEPDE4DCTSL
SCHEMBL16533210 0.86 CTSL (0.50) NAAACTSLCTSBCTSKTSHR
SCHEMBL426503 0.86 CTSL (0.50) NAAACTSLCTSBCTSKTSHR
SCHEMBL989536 0.86 CTSL (0.50) NAAACTSLCTSBCTSKTSHR
Methoxymethane SCHEMBL967072 0.84 CTSL (0.48) NAAABCHEACHEPDE4DCTSL
Methoxymethane SCHEMBL967074 0.84 CTSL (0.48) NAAABCHEACHEPDE4DCTSL
Phosphoric Acid SCHEMBL599938 0.82 TSHR (0.46) NAAACTSLCTSBCTSKTSHR

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
WO-2020046132-A1 PHARMACOLOGICAL CHAPERONES FOR ENZYME TREATMENT THERAPY LEIDEN UNIVERSITY (NL) 2020-03-05 WO disclosed