SCHEMBL17169663

SCHEMBL17169663

CCC(=O)NC1[C@H](OC)OC(COCCO)[C@H](O[C@@H]2OC(COCCO)[C@H](O[C@@H]3OC(COCCO)[C@H](C)[C@@H](O)C3N)[C@@H](O)C2NC(C)=O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 8/20 0.39
▸ LGALS7; LGALS7B P47929 3/20 0.39
▸ LGALS1 P09382 1/20 0.39
▸ LGALS9 O00182 3/20 0.38
▸ LGALS8 O00214 1/20 0.38
▸ LGALS4 P56470 1/20 0.38
▸ BMP2 P12643 2/20 0.37
▸ VEGFA P15692 2/20 0.37
▸ CXCL12 P48061 2/20 0.37
▸ SHH Q15465 2/20 0.37
▸ CD69 Q07108 1/20 0.35
▸ HPSE Q9Y251 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CHIA Q9BZP6 1/20 0.34
▸ IFNG P01579 1/20 0.34
▸ PF4 P02776 1/20 0.34
▸ CCL2 P13500 1/20 0.34
▸ SELP P16109 1/20 0.34
▸ BMP6 P22004 1/20 0.34
▸ CCL11 P51671 1/20 0.34

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
SCHEMBL17169660 0.95 LGALS3 (0.42) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL13160717 0.95 LGALS3 (0.42) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL17169658 0.93 LGALS3 (0.40) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL17169655 0.92 BMP2 (0.40) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL17169657 0.91 BMP2 (0.41) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL13159060 0.89 LGALS3 (0.39) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL10002037 0.86 BMP2 (0.38) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL13160719 0.86 LGALS3 (0.39) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL10002038 0.84 LGALS3 (0.38) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4
SCHEMBL15944582 0.84 LGALS3 (0.43) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8

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-20150291705-A1 GLYCOL CHITOSAN DERIVATIVE HAVING HYDROPHOBIC SUBSTITUENT, METHOD FOR PREPARING SAME AND USE OF SAME WINNOVA CO., LTD. (KR) 2015-10-15 — — US disclosed
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