SCHEMBL27968614

SCHEMBL27968614

O=C(COC(=O)c1ccc(CNCO[SH](=O)=O)cc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.47
KMT2A Q03164 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
TPSAB1 Q15661 1/20 0.40

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
SCHEMBL27968624 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKMT2AMAPTHPGD
SCHEMBL1852796 0.78 SMN1; SMN2 (0.74) SMN1; SMN2LMNAKMT2ASLC6A2SLC6A3
SCHEMBL6662121 0.78 KMT2A (0.76) LMNAKMT2ASLC6A2SLC6A3TDP1
SCHEMBL14798952 0.76 POLB (0.57) SMN1; SMN2LMNAKMT2ASLC6A2SLC6A3
SCHEMBL27968711 0.75 ALDH1A1 (0.56) SMN1; SMN2KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL380710 0.73 SMN1; SMN2 (0.71) SMN1; SMN2LMNAKMT2ASLC6A2SLC6A3
SCHEMBL16585699 0.73 CA1 (0.72) SMN1; SMN2LMNAKMT2ASLC6A2SLC6A3
SCHEMBL28163544 0.72 ALDH1A1 (0.50) SMN1; SMN2LMNAKMT2ASLC6A2SLC6A3
SCHEMBL29317291 0.72 KMT2A (0.53) SMN1; SMN2LMNAKMT2ASLC6A2SLC6A3
SCHEMBL7945249 0.72 ESR2 (0.57) SMN1; SMN2LMNAKMT2ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827088-A Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMA SPA 2014-05-28 CN disclosed