SCHEMBL9633650

SCHEMBL9633650

CCCCCCCCCCCC(=O)N(CC)CCNCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
DNM1 Q05193 2/20 0.43
PAOX Q6QHF9 2/20 0.43
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
KDM4C Q9H3R0 2/20 0.40
NAAA Q02083 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
SELP P16109 1/20 0.39
CNR1 P21554 2/20 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
SCHEMBL9633491 0.91 PAOX (0.48) LMNADNM1PAOXKDM5APHF8
SCHEMBL9633196 0.91 DNM1 (0.43) DNM1PAOXKDM5APHF8KDM4C
SCHEMBL1914764 0.87 KDM5A (0.43) KDM5APHF8KDM4CHDAC11ALDH1A1
SCHEMBL9722887 0.85 KDM5A (0.43) KDM5APHF8KDM4CHDAC11ALDH1A1
SCHEMBL25412654 0.84 PAOX (0.46) DNM1PAOXKDM5APHF8KDM4C
Hydrochloric Acid SCHEMBL9722886 0.84 KDM4C (0.42) KDM5APHF8KDM4CHDAC11ALDH1A1
SCHEMBL9633174 0.84 LMNA (0.41) LMNADNM1PAOXKDM5APHF8
SCHEMBL25724104 0.83 LMNA (0.54) LMNAHDAC11CNR1ALDH1A1CNR2
SCHEMBL8565188 0.83 LMNA (0.54) LMNAHDAC11CNR1ALDH1A1CNR2
SCHEMBL9935060 0.83 LMNA (0.54) LMNAHDAC11CNR1ALDH1A1CNR2

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