SCHEMBL4639776

SCHEMBL4639776

CCCCCOC1OC1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.43
RECQL P46063 2/20 0.39
MAPK1 P28482 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
FGF1 P05230 3/20 0.38
FGF2 P09038 3/20 0.38
VEGFA P15692 3/20 0.38
HPSE Q9Y251 3/20 0.38
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6673402 0.98 GBA1 (0.47) GBA1RECQLMAPK1GLAHPGD
SCHEMBL9814204 0.98 GBA1 (0.47) GBA1RECQLMAPK1GLAHPGD
SCHEMBL11847042 0.98 GBA1 (0.47) GBA1RECQLMAPK1GLAHPGD
SCHEMBL4458651 0.93
SCHEMBL3125655 0.87 LPAR2 (0.45)
SCHEMBL7519409 0.82
SCHEMBL6574209 0.81 GBA1 (0.46) GBA1RECQLMAPK1GLAHPGD
SCHEMBL6574204 0.81 GBA1 (0.46) GBA1RECQLMAPK1GLAHPGD
SCHEMBL8992926 0.81 GBA1 (0.46) GBA1RECQLMAPK1GLAHPGD
SCHEMBL18848257 0.79 GBA1 (0.43) GBA1MAPK1FGF1FGF2VEGFA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940928-A1 HIGH MOBILITY LOW EMISSION SURFACTANTS FOR POLYURETHANE FOAMS Momentive Performance Materials Inc. (US) 2008-07-09 EP claimed
WO-2007037896-A1 HIGH MOBILITY LOW EMISSION SURFACTANTS FOR POLYURETHANE FOAMS MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2007-04-05 WO claimed
EP-0229947-B1 NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-03-13 EP claimed
EP-0248879-A4 SYNTHESIS OF ARYLOXYPROPANOLAMINES AND ARYLETHANOLAMINES. DU PONT (US) 1990-02-26 EP claimed
EP-0248879-A1 SYNTHESIS OF ARYLOXYPROPANOLAMINES AND ARYLETHANOLAMINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-16 EP claimed
WO-1987003583-A1 SYNTHESIS OF ARYLOXYPROPANOLAMINES AND ARYLETHANOLAMINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-18 WO claimed
EP-0229947-A1 Novel crystalline salts of aryloxy-propanolamines, their preparation and their use RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-07-29 EP disclosed
US-4139537-A 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds COOPER LABORATORIES, INC. (US) 1979-02-13 US disclosed