SCHEMBL9633089

SCHEMBL9633089

CCCCCCCCCCCC(=O)N(CC)CCNCCCCOCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.42
S1PR2 O95136 5/20 0.40
S1PR4 O95977 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR5 Q9H228 1/20 0.40
LMNA P02545 1/20 0.40
CES2 O00748 1/20 0.38
KDM5A P29375 4/20 0.37
DNM1 Q05193 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL9633174 0.93 LMNA (0.41) PAOXLMNACES2KDM5ADNM1
SCHEMBL9633491 0.86 PAOX (0.48) PAOXS1PR2S1PR4S1PR1S1PR3
SCHEMBL9633149 0.84 LMNA (0.48) LMNACES2KDM5ADNM1HDAC11
SCHEMBL9633650 0.82 LMNA (0.44) PAOXLMNAKDM5ADNM1HDAC3
SCHEMBL9633084 0.79 LMNA (0.36) LMNAKDM5ADNM1HDAC3HDAC4
SCHEMBL25321005 0.79 S1PR2 (0.49) PAOXS1PR2S1PR4S1PR1S1PR3
SCHEMBL31271908 0.79 S1PR2 (0.49) PAOXS1PR2S1PR4S1PR1S1PR3
SCHEMBL31272060 0.79 S1PR2 (0.49) PAOXS1PR2S1PR4S1PR1S1PR3
SCHEMBL25318500 0.79 S1PR2 (0.49) PAOXS1PR2S1PR4S1PR1S1PR3
SCHEMBL31272009 0.79 S1PR2 (0.49) PAOXS1PR2S1PR4S1PR1S1PR3

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
US-5162315-A Topical administration of diltiazem THERAPEUTIC PATCH RESEARCH N.V. 1992-11-10 US disclosed