SCHEMBL9633231

SCHEMBL9633231

CCCCCCCCCCCC(=O)N(CC)CCOCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.41
DNM1 Q05193 1/20 0.41
EPHX2 P34913 1/20 0.40
DGKA P23743 1/20 0.40
CNR2 P34972 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 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
SCHEMBL10582246 0.94 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL29361952 0.94 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8115453 0.91 MEN1 (0.49) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8108773 0.91 MEN1 (0.49) MEN1KMT2ATHRBHTTMAPT
SCHEMBL26801512 0.91 MEN1 (0.49) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8101448 0.91 MEN1 (0.49) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9633149 0.89 LMNA (0.48) MEN1KMT2ALMNATSHRZDHHC20
SCHEMBL6751434 0.88 MEN1 (0.54) MEN1KMT2ATHRBHTTMAPT
SCHEMBL6751402 0.88 MEN1 (0.54) MEN1KMT2ATHRBHTTMAPT
SCHEMBL6751392 0.88 MEN1 (0.54) MEN1KMT2ATHRBHTTMAPT

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