SCHEMBL11048049

SCHEMBL11048049

CCCCCOCC1COOO1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.48
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
PDK1 Q15118 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL57110 0.79 ALDH1A1 (0.96) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL7752331 0.79 ALDH1A1 (0.96) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL9501546 0.77 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL260571 0.77 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL12977796 0.77 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
Methane SCHEMBL6431114 0.77 ALDH1A1 (0.92) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL6377533 0.77 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL262010 0.77 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL10482100 0.77 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL6376906 0.77 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2

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-0093155-A4 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS BETA-ADRENERGIC BLOCKING AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1984-04-24 EP disclosed
EP-0093155-A1 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS BETA-ADRENERGIC BLOCKING AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-11-09 EP disclosed
WO-1983001772-A1 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS 'beta'-ADRENERGIC BLOCKING AGENTS AMERICAN HOSPITAL SUPPLY CORP (US) 1983-05-26 WO disclosed