SCHEMBL2551708

SCHEMBL2551708

CCCCCP(CCCCC)c1ccc(OC)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
APLNR P35414 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAD52 P43351 1/20 0.39
TP53 P04637 1/20 0.38
THRA P10827 1/20 0.38

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
SCHEMBL2549498 0.78 ALOX5 (0.42) CA12CA1CA2CA7CA9
SCHEMBL8335436 0.78 CA12 (0.48) HDAC3HDAC1HDAC2CA12CA1
SCHEMBL17529657 0.77 ALOX5 (0.41) CA12CA1CA2CA7CA9
SCHEMBL17529806 0.77 ALOX5 (0.41) CA12CA1CA2CA7CA9
SCHEMBL17529709 0.77 ALOX5 (0.41) CA12CA1CA2CA7CA9
SCHEMBL8214372 0.76 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8722412 0.75 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL8932172 0.74 CA12 (0.52) HDAC3HDAC1HDAC2CA12CA1
SCHEMBL11306814 0.74 NR1I2 (0.42) HDAC3HDAC1HDAC2CA12CA1
SCHEMBL31240957 0.73 CA12 (0.60) CA12CA1CA2CA7CA9

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-2552928-A1 A PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST Chromafora AB (SE) 2013-02-06 EP disclosed
WO-2011123037-A1 A PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST CHROMAFORA AB (SE) 2011-10-06 WO disclosed