SCHEMBL9799487

SCHEMBL9799487

CCCCCONC(O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
HTT P42858 2/20 0.37
EPHX1 P07099 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
LPAR3 Q9UBY5 6/20 0.33
LPAR2 Q9HBW0 5/20 0.33
LPAR1 Q92633 2/20 0.33
NAAA Q02083 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7859946 0.75 DNM1 (0.35) USP2HTTEPHX1CA12CA1
SCHEMBL9717359 0.73 DNM1 (0.39) USP2HTTEPHX1CA1CA2
SCHEMBL5682470 0.73
SCHEMBL29082218 0.72 ZDHHC7 (0.36) USP2HTTEPHX1CA1CA2
SCHEMBL28574966 0.72 ZDHHC7 (0.36) USP2HTTEPHX1CA1CA2
SCHEMBL4271919 0.71 DNM1 (0.42) USP2HTTEPHX1MEN1THRB
SCHEMBL4275681 0.71 DNM1 (0.42) USP2HTTEPHX1MEN1THRB
SCHEMBL4280445 0.71 DNM1 (0.42) USP2HTTEPHX1MEN1THRB
SCHEMBL4279417 0.71 DNM1 (0.42) USP2HTTEPHX1MEN1THRB
SCHEMBL4275162 0.71 DNM1 (0.42) USP2HTTEPHX1MEN1THRB

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-0229947-B1 NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-03-13 EP claimed
EP-0229947-A1 Novel crystalline salts of aryloxy-propanolamines, their preparation and their use RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-07-29 EP claimed
EP-0229947-B1 NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-03-13 EP disclosed
EP-0229947-A1 Novel crystalline salts of aryloxy-propanolamines, their preparation and their use RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-07-29 EP disclosed