SCHEMBL24086092

SCHEMBL24086092

CCCCCCO[C@H]1C(C(=O)OC)O[C@@H](O[C@@H]2C(COC(=O)c3ccccc3)O[C@H](OC)C(N=[N+]=[N-])C2OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)C1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.39
▸ FGF2 P09038 1/20 0.38
▸ MDK P21741 1/20 0.38
▸ SSTR1 P30872 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ SSTR5 P35346 1/20 0.37
▸ LGALS3 P17931 1/20 0.34
▸ PTPN1 P18031 10/20 0.34
▸ NT5E P21589 1/20 0.34
▸ PTPN2 P17706 3/20 0.34
▸ PTPN6 P29350 2/20 0.34
▸ PTPN11 Q06124 2/20 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
SCHEMBL10148937 0.89 FGF2 (0.39) TNFFGF2MDKSSTR1SSTR2
SCHEMBL13796736 0.89 FGF2 (0.39) TNFFGF2MDKSSTR1SSTR2
SCHEMBL13766005 0.89 FGF2 (0.39) TNFFGF2MDKSSTR1SSTR2
SCHEMBL13765990 0.89 FGF2 (0.38) TNFFGF2MDKSSTR1SSTR2
SCHEMBL21851807 0.89 FGF2 (0.38) TNFFGF2MDKSSTR1SSTR2
SCHEMBL13766000 0.89 FGF2 (0.38) TNFFGF2MDKSSTR1SSTR2
SCHEMBL13796781 0.89 FGF2 (0.38) TNFFGF2MDKSSTR1SSTR2
SCHEMBL13765997 0.89 FGF2 (0.38) TNFFGF2MDKSSTR1SSTR2
SCHEMBL13765988 0.89 FGF2 (0.38) TNFFGF2MDKSSTR1SSTR2
SCHEMBL13795885 0.88 FGF2 (0.39) TNFFGF2MDKSSTR1SSTR2

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-20210379253-A1 IMMOBILISED BIOLOGICAL ENTITIES CARMEDA AB (SE) 2021-12-09 — — US disclosed
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