SCHEMBL8000037

SCHEMBL8000037

CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@@H](CO)O[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.66
▸ ALDH1A1 P00352 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LGALS3 P17931 2/20 0.43
▸ CD69 Q07108 2/20 0.43
▸ LGALS8 O00214 3/20 0.42
▸ LGALS4 P56470 1/20 0.41
▸ PYGB P11216 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
SCHEMBL7888480 1.00 MAPK1 (0.66) MAPK1ALDH1A1THRBNOD2KDM4E
SCHEMBL11425414 1.00 MAPK1 (0.66) MAPK1ALDH1A1THRBNOD2KDM4E
SCHEMBL7888483 1.00 MAPK1 (0.66) MAPK1ALDH1A1THRBNOD2KDM4E
SCHEMBL8000040 1.00 MAPK1 (0.66) MAPK1ALDH1A1THRBNOD2KDM4E
SCHEMBL23031946 0.90 MAPK1 (0.56) MAPK1ALDH1A1THRBNOD2KDM4E
SCHEMBL30644644 0.90 MAPK1 (0.56) MAPK1ALDH1A1THRBNOD2KDM4E
SCHEMBL18984599 0.88 MAPK1 (0.55) MAPK1ALDH1A1THRBNOD2KDM4E
SCHEMBL8027243 0.87 ALDH1A1 (0.52) MAPK1ALDH1A1THRBLMNALGALS3
SCHEMBL7154639 0.87 ALDH1A1 (0.52) MAPK1ALDH1A1THRBLMNALGALS3
SCHEMBL7154645 0.87 ALDH1A1 (0.52) MAPK1ALDH1A1THRBLMNALGALS3

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
WO-2000021552-A9 GLYCOPROTEIN ANTIGENS, ANTIBODIES SPECIFIC THERETO AND METHOD FOR PRODUCING SAME UNIV TECHNOLOGY CORP (US) 2000-08-31 — — WO disclosed
WO-2000021552-A1 GLYCOPROTEIN ANTIGENS, ANTIBODIES SPECIFIC THERETO AND METHOD FOR PRODUCING SAME UNIVERSITY TECHNOLOGY CORPORATION (US) 2000-04-20 — — WO disclosed
Send feedback