SCHEMBL9633446

SCHEMBL9633446

CCCCCCCCCCCC(=O)NC(C)NCCCCOCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
PLA2G10 O15496 2/20 0.45
HSP90AA1 P07900 1/20 0.45
DNM1 Q05193 1/20 0.44
LPAR3 Q9UBY5 4/20 0.42
EPHX2 P34913 1/20 0.42
LPAR1 Q92633 2/20 0.41
NOD1 Q9Y239 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
ASAH2 Q9NR71 1/20 0.41

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
SCHEMBL9633210 0.82 FAAH (0.59) FAAHMEN1KMT2AMAPK1PLA2G10
SCHEMBL970600 0.80 MEN1 (0.61) FAAHMEN1KMT2AMAPK1PLA2G10
SCHEMBL19687365 0.80 CASP2 (0.62) FAAHDNM1EPHX2
SCHEMBL17624918 0.79 CASP2 (0.59) FAAHDNM1EPHX2
SCHEMBL2146114 0.78 FAAH (0.77) FAAHMEN1KMT2AMAPK1PLA2G10
SCHEMBL9633097 0.77 EPHX2 (0.40) FAAHMEN1KMT2AMAPK1EPHX2
SCHEMBL28881091 0.77 FAAH (0.65) FAAHMEN1KMT2AMAPK1PLA2G10
SCHEMBL28881086 0.77 FAAH (0.65) FAAHMEN1KMT2AMAPK1PLA2G10
SCHEMBL9633440 0.75 CASP2 (0.51) FAAHDNM1EPHX2LPAR1
Phosphoric Acid SCHEMBL339543 0.75 MEN1 (0.54) FAAHMEN1KMT2AMAPK1PLA2G10

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