SCHEMBL8427652

SCHEMBL8427652

O=C(CCCc1ccccc1)OC[C@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
LPAR1 Q92633 5/20 0.52
TDP1 Q9NUW8 3/20 0.47
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8427417 0.92 TDP1 (0.58) ADRB2ADRB1ADRB3LPAR1TDP1
SCHEMBL1983179 0.84 ADRB2 (0.66) ADRB2ADRB1ADRB3LPAR1TDP1
SCHEMBL8429393 0.82 ALDH1A1 (0.53) ADRB2ADRB1ADRB3MAPK1SMN1; SMN2
SCHEMBL9463643 0.82 LPAR1 (0.71) ADRB2ADRB1ADRB3LPAR1TDP1
Phenylbutanoic Acid SCHEMBL406962 0.81 ADRB2 (0.62) ADRB2ADRB1ADRB3LPAR1TDP1
SCHEMBL29028798 0.79 LPAR1 (0.70) ADRB2ADRB1ADRB3LPAR1TDP1
SCHEMBL11293636 0.79 LPAR1 (0.70) ADRB2ADRB1ADRB3LPAR1TDP1
SCHEMBL15061844 0.79 MGLL (0.61) ADRB2ADRB1ADRB3LPAR1TDP1
SCHEMBL28226601 0.78 ADRB2 (0.61) ADRB2ADRB1ADRB3LPAR1TDP1
SCHEMBL15048863 0.78 ADRB2 (0.58) ADRB2ADRB1ADRB3LPAR1TDP1

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