SCHEMBL9633210

SCHEMBL9633210

CCCCCCCCCCCC(=O)NC(C)NCCCCO

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPK1 P28482 1/20 0.59
HSP90AA1 P07900 1/20 0.50
PLA2G10 O15496 2/20 0.49
DNM1 Q05193 2/20 0.49
NAAA Q02083 1/20 0.49
NOD1 Q9Y239 1/20 0.45
PLA2G2C Q5R387 1/20 0.45
ASAH2 Q9NR71 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL970600 0.92 MEN1 (0.61) FAAHMEN1KMT2AMAPK1HSP90AA1
Phosphoric Acid SCHEMBL339543 0.86 MEN1 (0.54) FAAHMEN1KMT2AMAPK1HSP90AA1
SCHEMBL28881086 0.85 FAAH (0.65) FAAHMEN1KMT2AMAPK1HSP90AA1
SCHEMBL28881091 0.85 FAAH (0.65) FAAHMEN1KMT2AMAPK1HSP90AA1
SCHEMBL2146114 0.82 FAAH (0.77) FAAHMEN1KMT2AMAPK1HSP90AA1
SCHEMBL9633446 0.82 FAAH (0.53) FAAHMEN1KMT2AMAPK1HSP90AA1
SCHEMBL115804 0.79 MEN1 (0.53) FAAHMEN1KMT2AMAPK1HSP90AA1
SCHEMBL118179 0.79 MEN1 (0.53) FAAHMEN1KMT2AMAPK1HSP90AA1
SCHEMBL118547 0.79 MEN1 (0.53) FAAHMEN1KMT2AMAPK1HSP90AA1
SCHEMBL10340435 0.79 FAAH (0.71) FAAHMEN1KMT2AMAPK1HSP90AA1

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