SCHEMBL2546807

SCHEMBL2546807

CCCCCP(CCCCC)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KCNH2 Q12809 10/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL11318220 0.98 SMN1; SMN2 (0.42) SMN1; SMN2KCNH2HDAC3HDAC1HDAC2
SCHEMBL9579813 0.94 SMN1; SMN2 (0.40) SMN1; SMN2KCNH2HDAC3HDAC1HDAC2
SCHEMBL2879318 0.89 TSHR (0.35) SMN1; SMN2KCNH2KDM4EALDH1A1LMNA
SCHEMBL15655909 0.87 TSHR (0.40) SMN1; SMN2KCNH2KDM4EALDH1A1LMNA
SCHEMBL15661500 0.87 TSHR (0.40) SMN1; SMN2KCNH2KDM4EALDH1A1LMNA
SCHEMBL15657314 0.87 TSHR (0.40) SMN1; SMN2KCNH2KDM4EALDH1A1LMNA
SCHEMBL15660150 0.82 TSHR (0.32) LMNA
SCHEMBL9788876 0.82 SMN1; SMN2 (0.42) SMN1; SMN2KCNH2HDAC3HDAC1HDAC2
SCHEMBL2549419 0.81 HTT (0.41) SMN1; SMN2KCNH2KDM4EALDH1A1HPGD
SCHEMBL7561043 0.79 HTT (0.44) KCNH2ALDH1A1HPGDL3MBTL1

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