SCHEMBL18936348

SCHEMBL18936348

CCCCO[C@@H]1C(C(=O)O)O[C@@H](OC2[C@H](O)C(CO)OC(C)[C@H]2NC(C)=O)[C@@H](O)C1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.51
▸ LGALS3 P17931 2/20 0.48
▸ LGALS8 O00214 1/20 0.48
▸ LGALS4 P56470 1/20 0.48
▸ BDNF P23560 3/20 0.45
▸ MDK P21741 3/20 0.45
▸ PTN P21246 2/20 0.45
▸ BMP2 P12643 2/20 0.41
▸ VEGFA P15692 2/20 0.41
▸ CXCL12 P48061 2/20 0.41
▸ SHH Q15465 2/20 0.41
▸ IFNG P01579 1/20 0.40
▸ PF4 P02776 1/20 0.40
▸ CCL2 P13500 1/20 0.40
▸ SELP P16109 1/20 0.40
▸ BMP6 P22004 1/20 0.40
▸ CCL11 P51671 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ SELPLG Q14242 1/20 0.40
▸ SELL P14151 1/20 0.39

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
SCHEMBL19731923 0.91 LGALS3 (0.48) MAPK1LGALS3LGALS8LGALS4BDNF
SCHEMBL15215584 0.86 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4BDNF
SCHEMBL12213976 0.86 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4BDNF
SCHEMBL15274904 0.86 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4BDNF
SCHEMBL4544701 0.86 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4BDNF
SCHEMBL25121361 0.86 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4BDNF
SCHEMBL18254178 0.86 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4BDNF
SCHEMBL12085239 0.86 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4BDNF
SCHEMBL21374694 0.86 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4BDNF
SCHEMBL15082697 0.86 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4BDNF

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-20170160289-A1 SYNERGISTIC COMBINATION OF BIOMARKERS FOR DETECTING AND ASSESSING HEPATIC FIBROSIS BIO-RAD INNOVATIONS (FR) 2017-06-08 — — US disclosed
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