SCHEMBL14051305

SCHEMBL14051305

CC(=O)NC1C(C(C)C)OC(CO)[C@H](O)C1O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ THRB P10828 1/20 0.63
▸ MAPK1 P28482 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CD69 Q07108 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ PYGB P11216 1/20 0.45
▸ MMP12 P39900 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL25518922 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL9914082 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL14025370 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL18102361 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL22311649 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL11946954 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL18708293 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL22311199 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL22311210 1.00 ALDH1A1 (0.63) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL9914084 0.89 ALDH1A1 (0.57) ALDH1A1THRBMAPK1SMN1; SMN2CD69

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-2008067039-A9 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE WISCONSIN ALUMNI RES FOUND (US) 2008-10-16 — — WO disclosed
WO-2008067039-A2 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-06-05 — — WO disclosed
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