SCHEMBL16995154

SCHEMBL16995154

C#CCN(C(=O)CCCCC)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1B1 P15121 1/20 0.36

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
SCHEMBL21709554 0.95 ALDH1A1 (0.44) EPHX2ALDH1A1CES2CES1
SCHEMBL28951478 0.87 EPHX2 (0.44) EPHX2ALDH1A1MEN1KMT2A
SCHEMBL12556236 0.83 EPHX2 (0.52) EPHX2ALDH1A1CES2CES1LMNA
SCHEMBL21709555 0.83 EPHX2 (0.33) EPHX2MEN1KMT2A
SCHEMBL23183620 0.78 EPHX2 (0.60) EPHX2ALDH1A1CES2CES1LMNA
SCHEMBL25836455 0.78 EPHX2 (0.56) EPHX2ALDH1A1CES2CES1LMNA
SCHEMBL16435062 0.75 ALDH1A1 (0.41) ALDH1A1CES2CES1MEN1KMT2A
SCHEMBL1357919 0.74 EPHX2 (0.60) EPHX2ALDH1A1MEN1KMT2AAKR1B1
SCHEMBL12928359 0.74 ALDH1A1 (0.52) EPHX2ALDH1A1CES2CES1LMNA
SCHEMBL21709526 0.72

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
EP-2504311-B1 ARACHIDONIC ACID ANALOGS AND METHODS FOR ANALGESIC TREATMENT USING SAME CYTOMETIX INC (US) 2015-08-12 EP disclosed