SCHEMBL6553528

SCHEMBL6553528

CC(=O)OC[C@H]1O[C@@H](F)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TACR2 P21452 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NT5E P21589 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ HTR1A P08908 1/20 0.35

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
SCHEMBL6553532 1.00 TSHR (0.41) TSHRLMNAALDH1A1KMT2AMAPK1
SCHEMBL6553250 0.89 TNF (0.42) TSHRLMNAALDH1A1KMT2AMAPK1
SCHEMBL6553247 0.89 TNF (0.42) TSHRLMNAALDH1A1KMT2AMAPK1
SCHEMBL8831490 0.85 LMNA (0.41) TSHRLMNAALDH1A1KMT2AMAPK1
SCHEMBL8333439 0.84 TSHR (0.53) TSHRLMNAKMT2APTPN1
SCHEMBL8333455 0.84 TSHR (0.53) TSHRLMNAKMT2APTPN1
SCHEMBL6553329 0.82 CYP3A4 (0.41) LMNAALDH1A1KMT2AMAPK1CYP2D6
SCHEMBL6553337 0.82 CYP3A4 (0.41) LMNAALDH1A1KMT2AMAPK1CYP2D6
SCHEMBL8398629 0.82 LGALS3 (0.39) TSHRLMNAALDH1A1KMT2AMAPK1
SCHEMBL8398623 0.82 LGALS3 (0.39) TSHRLMNAALDH1A1KMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018515-B1 Oligosaccharide, method for producing it and pharmaceutical composition containing it SEIKAGAKU KOGYO CO LTD (JP) 2004-02-18 — — EP disclosed
US-6562954-B1 Oligosaccharide for use as tool in human therapeutics SEIKAGAKU CORPORATION (JP) 2003-05-13 — — US disclosed
EP-1018515-A1 Oligosaccharide, method for producing it and pharmaceutical composition containing it SEIKAGAKU CORPORATION (JP) 2000-07-12 — — EP disclosed
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