SCHEMBL10599258

SCHEMBL10599258

CCOC(=O)c1ccc(OCC(O)COCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ ADRB2 P07550 1/20 0.56
▸ ADRB1 P08588 1/20 0.56
▸ ADRB3 P13945 1/20 0.56
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ GALR3 O60755 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MAOB P27338 1/20 0.47

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
SCHEMBL25119571 0.90 MAPT (0.56) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL16358433 0.84 ADRB2 (0.59) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL340618 0.83 MAOB (0.67) MAPTADRB2ADRB1ADRB3KMT2A
SCHEMBL9663864 0.82 CA1 (0.55) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL10599264 0.81 HTT (0.50) ADRB2ADRB1ADRB3L3MBTL1TSHR
SCHEMBL11701711 0.80 MAPT (0.64) MAPTADRB2ADRB1ADRB3LMNA
SCHEMBL8667480 0.80 TDP1 (0.54) MAPTKMT2ASMN1; SMN2L3MBTL1TSHR
SCHEMBL11243132 0.80 CA1 (0.60) MAPTKMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL11243137 0.80 CA1 (0.60) MAPTKMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL300081 0.80 CA1 (0.64) ADRB2ADRB1ADRB3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175325-B1 NEW 8-SUBSTITUTED NUCLEOSIDE AND PURINE DERIVATIVES, THE PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pierrel S.p.A. (IT) 1989-03-15 — — EP disclosed
US-4774325-A ANTILIPEMIC AGENTS PIERREL SPA (IT) 1988-09-27 — — US disclosed
Send feedback