SCHEMBL31269503

SCHEMBL31269503

CCCCCCCCO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF2R P11717 4/20 0.49
▸ MAPK1 P28482 1/20 0.44
▸ GBA1 P04062 1/20 0.42
▸ PTPN1 P18031 4/20 0.42
▸ GJB2 P29033 4/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ TLR4 O00206 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
SCHEMBL16572634 0.95 IGF2R (0.45) IGF2RMAPK1PTPN1GJB2PTPN2
SCHEMBL16572362 0.95 IGF2R (0.45) IGF2RMAPK1PTPN1GJB2PTPN2
SCHEMBL15618347 0.86 GBA1 (0.50) MAPK1GBA1
SCHEMBL15618283 0.86 GBA1 (0.50) MAPK1GBA1
SCHEMBL11108682 0.86 GBA1 (0.50) MAPK1GBA1
SCHEMBL15618294 0.86 GBA1 (0.50) MAPK1GBA1
SCHEMBL11110342 0.86 GBA1 (0.50) MAPK1GBA1
SCHEMBL11110339 0.86 GBA1 (0.50) MAPK1GBA1
SCHEMBL11098591 0.86 GBA1 (0.50) MAPK1GBA1
SCHEMBL15618344 0.86 GBA1 (0.50) MAPK1GBA1

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
US-20240350574-A1 PHENOLIC PHYTOCHEMICALS FOR BONE METASTASIS OF CANCER NDSU RESEARCH FOUNDATION 2024-10-24 — — US claimed
US-20240350574-A1 PHENOLIC PHYTOCHEMICALS FOR BONE METASTASIS OF CANCER NDSU RESEARCH FOUNDATION 2024-10-24 — — US disclosed
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