SCHEMBL9558692

SCHEMBL9558692

CCCOCCOc1ccc(OC[C@@H]2CO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TSHR P16473 4/20 0.55
TP53 P04637 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 2/20 0.55
HIF1A Q16665 2/20 0.55
CYP1A2 P05177 2/20 0.55
PPARG P37231 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
PKM P14618 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
CYP3A4 P08684 2/20 0.49
GLA P06280 1/20 0.42
GPR84 Q9NQS5 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL320360 1.00 ALDH1A1 (0.55) ALDH1A1TSHRTP53MAPTMEN1
SCHEMBL6859214 0.92 TDP1 (0.63) ALDH1A1TSHRTP53MAPTMEN1
SCHEMBL10836633 0.90 ALDH1A1 (0.62) ALDH1A1TSHRTP53MAPTMEN1
SCHEMBL322007 0.89 ALDH1A1 (0.57) ALDH1A1TSHRTP53MAPTMEN1
SCHEMBL19607361 0.86 ALDH1A1 (0.62) ALDH1A1TSHRTP53MAPTMEN1
SCHEMBL11714028 0.86 ALDH1A1 (0.62) ALDH1A1TSHRTP53MAPTMEN1
SCHEMBL7120531 0.86 ALDH1A1 (0.62) ALDH1A1TSHRTP53MAPTMEN1
SCHEMBL10419046 0.83 ALDH1A1 (0.58) ALDH1A1TSHRTP53MAPTMEN1
SCHEMBL10500015 0.83 ALDH1A1 (0.62) ALDH1A1TSHRTP53MAPTMEN1
SCHEMBL21638946 0.83 TDP1 (0.66) ALDH1A1TSHRTP53MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242943-A Administering as beta adrenoceptor blocking agents Louis, William J. (AU) 1993-09-07 US disclosed
US-5051445-A Cardiovascular disorders such as antiarrhythmia or cardiotonic agents, adrenergic blocking agents Louis, William J. (AU) 1991-09-24 US disclosed
EP-0177515-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1989-05-31 EP disclosed
EP-0177515-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-09-23 EP disclosed
EP-0177515-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-04-16 EP disclosed
WO-1985004403-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ LTD. (CH) 1985-10-10 WO disclosed