SCHEMBL10692834

SCHEMBL10692834

CCC(=O)Oc1ccc(OCC2CO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 5/20 0.54
HIF1A Q16665 4/20 0.54
KMT2A Q03164 4/20 0.54
TP53 P04637 3/20 0.54
TSHR P16473 3/20 0.54
PKM P14618 3/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.54
PPARG P37231 1/20 0.54
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.50
ESR1 P03372 2/20 0.50
RECQL P46063 1/20 0.50
CYP3A4 P08684 1/20 0.47
ELANE P08246 1/20 0.46
ACHE P22303 1/20 0.43

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
SCHEMBL10692831 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHIF1AKMT2ATP53
SCHEMBL22435456 0.88 ALDH1A1 (0.51) ALDH1A1MAPTHIF1AKMT2ATP53
SCHEMBL5569343 0.85 KMT2A (0.49) ALDH1A1MAPTHIF1AKMT2ATP53
SCHEMBL9628829 0.84 ALDH1A1 (0.57) ALDH1A1MAPTHIF1AKMT2ATP53
SCHEMBL31525966 0.83 ALDH1A1 (0.48) ALDH1A1MAPTHIF1AKMT2ATP53
SCHEMBL29325099 0.83 ALDH1A1 (0.53) ALDH1A1MAPTHIF1AKMT2ATP53
SCHEMBL18917618 0.82 ALDH1A1 (0.49) ALDH1A1MAPTHIF1AKMT2ATP53
SCHEMBL13141151 0.81 SMN1; SMN2 (0.54) ALDH1A1MAPTHIF1AKMT2ATP53
SCHEMBL24452794 0.81 ALDH1A1 (0.57) ALDH1A1MAPTHIF1AKMT2ATP53
SCHEMBL29325700 0.80 ALDH1A1 (0.53) ALDH1A1MAPTHIF1AKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0256586-A1 Process for the preparation of esters of 4-(2,3-epoxypropoxy)phenylacetic acid and 4-(2-hydroxy-3-isopropylamino-propoxy)phenylacetic acid and/or atenolol in stereospecific form GIST-BROCADES N.V. (NL) 1988-02-24 EP disclosed
EP-0065542-A4 COMPOUNDS SUITABLE FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-04-25 EP disclosed
EP-0065542-A1 COMPOUNDS SUITABLE FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1982-12-01 EP disclosed
WO-1982001869-A1 METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS AMERICAN HOSPITAL SUPPLY CORP (US) 1982-06-10 WO disclosed