SCHEMBL17833025

SCHEMBL17833025

CCCCCCCCCCCCCCCCCCO[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 15/20 1.00
TNF P01375 1/20 0.43
TSHR P16473 1/20 0.40

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
SCHEMBL3649428 0.98 GBA1 (0.96) GBA1TNFTSHR
SCHEMBL7750204 0.98 GBA1 (0.95) GBA1TNFTSHR
SCHEMBL10618513 0.95 GBA1 (0.91) GBA1TNFTSHR
SCHEMBL10616804 0.95 GBA1 (0.91) GBA1TSHR
SCHEMBL10619629 0.95 GBA1 (0.91) GBA1TNFTSHR
SCHEMBL10617470 0.95 GBA1 (0.91) GBA1TNFTSHR
SCHEMBL10621226 0.95 GBA1 (0.91) GBA1TNFTSHR
SCHEMBL10616769 0.95 GBA1 (0.91) GBA1TNFTSHR
SCHEMBL3651829 0.95 GBA1 (0.91) GBA1TSHR
SCHEMBL3652751 0.95 GBA1 (0.91) GBA1TNFTSHR

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-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed