SCHEMBL5706265

SCHEMBL5706265

COc1ccc(CCC(O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LDHA P00338 1/20 0.44
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
ALOX5 P09917 1/20 0.42
CALM1 P0DP23 2/20 0.42
MEN1 O00255 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL28839760 0.87 LDHA (0.49) F2RL1ALDH1A1SMN1; SMN2LDHAKMT2A
SCHEMBL27459521 0.84 ALDH1A1 (0.47) F2RL1ALDH1A1SMN1; SMN2LDHAKMT2A
SCHEMBL487446 0.83 CTSK (0.49) SMN1; SMN2KMT2ATDP1HTTMEN1
SCHEMBL487448 0.83 CTSK (0.49) SMN1; SMN2KMT2ATDP1HTTMEN1
SCHEMBL4143308 0.82 KMT2A (0.56) F2RL1ALDH1A1SMN1; SMN2LDHAKMT2A
SCHEMBL7676917 0.80 LDHA (0.59) F2RL1ALDH1A1SMN1; SMN2LDHAKDM4E
SCHEMBL3739740 0.80 LDHA (0.59) F2RL1ALDH1A1SMN1; SMN2LDHAKDM4E
SCHEMBL5706137 0.79 PPARG (0.51) F2RL1ALDH1A1SMN1; SMN2KMT2AGLA
SCHEMBL10609999 0.79 TSHR (0.46) ALDH1A1KMT2AKDM4ERAB9AMAPT
SCHEMBL9242982 0.77 TSHR (0.42) SMN1; SMN2KMT2AALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697316-A1 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF (R)-TAMSULOSIN AND OF ITS PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR THEIR PREPARATION PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2006-09-06 EP disclosed
WO-2005058810-A1 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF (R)-TAMSULOSIN AND OF ITS PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR THEIR PREPARATION PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2005-06-30 WO disclosed