SCHEMBL12975856

SCHEMBL12975856

CC1O[C@@H](OC2C(O)CC(CO)O[C@H]2OCCOCCNC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)C(O)C(O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MDK P21741 4/20 0.56
▸ FGF1 P05230 1/20 0.53
▸ FGF2 P09038 1/20 0.53
▸ VEGFA P15692 1/20 0.53
▸ HPSE Q9Y251 1/20 0.53
▸ F2 P00734 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ TPSAB1 Q15661 1/20 0.51
▸ PKM P14618 2/20 0.50
▸ FOLH1 Q04609 3/20 0.47
▸ HSP90AB1 P08238 1/20 0.45
▸ PLCD1 P51178 1/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42

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
SCHEMBL9898615 0.78 MDK (0.65) MDKFGF1FGF2VEGFAHPSE
SCHEMBL9898618 0.78 MDK (0.65) MDKFGF1FGF2VEGFAHPSE
SCHEMBL9898612 0.78 MDK (0.65) MDKFGF1FGF2VEGFAHPSE
SCHEMBL15216220 0.78 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751698 0.78 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 0.78 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19017236 0.78 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24767163 0.76 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18549029 0.76 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22767679 0.76 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1

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
US-7858578-B2 tissue engineering using a carbohydrate fucose-galactose attached to polyacrylamide or polyoxyethylene glycol; inducing neuronal outgrowth CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-12-28 — — US disclosed
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