SCHEMBL8427417

SCHEMBL8427417

O=C(CCc1ccccc1)OC[C@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 1/20 0.46
LPAR1 Q92633 3/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
APP P05067 1/20 0.45
KEAP1 Q14145 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
ALOX5 P09917 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8427652 0.92 ADRB2 (0.55) TDP1LPAR1ADRB2ADRB1ADRB3
SCHEMBL8429393 0.85 ALDH1A1 (0.53) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL23406378 0.82 TDP1 (0.54) TDP1MAPTLPAR1ADRB2ADRB1
SCHEMBL9464191 0.81 TDP1 (0.70) TDP1MAPTLPAR1ADRB2ADRB1
SCHEMBL8701193 0.79 TDP1 (0.58) TDP1MAPTLPAR1ADRB2ADRB1
SCHEMBL29053751 0.78 TDP1 (0.66) TDP1MAPTLPAR1ADRB2ADRB1
SCHEMBL14866787 0.78 ALDH1A1 (0.45) TDP1ALDH1A1KMT2A
SCHEMBL8696586 0.77 TDP1 (0.51) TDP1MAPTLPAR1ADRB2ADRB1
SCHEMBL3185725 0.76 TDP1 (0.68) TDP1MAPTADRB2ADRB1ADRB3
SCHEMBL18585442 0.76 PDE4A (0.39) TDP1ALDH1A1MEN1KMT2A

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-0773949-B1 D-MANNOSE OR XYLITOL ESTERS AND THEIR USE AS DRUGS ASSOCIAZIONE DI VOLONTARIATO P (IT) 1999-11-10 EP claimed
US-5830872-A THERAPY FOR BLOOD DISORDERS L'ASSOCIAZIONE DI VOLONTARIATO "PRO LA FONDAZIONE FUTURO SENZA THALASSEMIA" (IT) 1998-11-03 US claimed
US-5830872-A THERAPY FOR BLOOD DISORDERS L'ASSOCIAZIONE DI VOLONTARIATO "PRO LA FONDAZIONE FUTURO SENZA THALASSEMIA" (IT) 1998-11-03 US disclosed