SCHEMBL9723828

SCHEMBL9723828

CCCCCCCCCCCCN(CCCCCCCCCCC)N1CCCCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALOX5 P09917 2/20 0.36
MC4R P32245 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
DNM1 Q05193 1/20 0.31

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
SCHEMBL10864393 0.84 FAAH (0.36) GAAALOX5MC4RFAAHMGLL
SCHEMBL11742720 0.75 GAA (0.36) GAAMC4RL3MBTL1MEN1KMT2A
SCHEMBL20243443 0.73 BRD4 (0.38) ALOX5
Undecane SCHEMBL28268300 0.72 BRD4 (0.61) GAAALOX5FAAHMGLLL3MBTL1
SCHEMBL10816721 0.71 ALOX5 (0.46) GAAALOX5FAAHMGLLL3MBTL1
SCHEMBL8967917 0.71 ALOX5 (0.46) GAAALOX5FAAHMGLLL3MBTL1
SCHEMBL5858660 0.71 ALOX5 (0.46) GAAALOX5FAAHMGLLL3MBTL1
SCHEMBL11847945 0.71 ALOX5 (0.46) GAAALOX5FAAHMGLLL3MBTL1
SCHEMBL11851404 0.71 ALOX5 (0.46) GAAALOX5FAAHMGLLL3MBTL1
SCHEMBL10481688 0.71 ALOX5 (0.46) GAAALOX5FAAHMGLLL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368933-B1 COMPOSITIONS COMPRISING 1-OXO- OR THIOHYDROCARBYL SUBSTITUTED AZACYCLOALKANES Whitby Research Incorporated (US) 1992-10-14 EP disclosed
EP-0368933-A1 COMPOSITIONS COMPRISING 1-OXO- OR THIOHYDROCARBYL SUBSTITUTED AZACYCLOALKANES Whitby Research Incorporated (US) 1990-05-23 EP disclosed
US-4920101-A FOR ENHANCING PENETRATION OF PHYSIOLOGICALLY ACTIVE AGENTS THROUGH SKIN OR OTHER MEMBRANES NELSON RESEARCH & DEVELOPMENT CO. (US) 1990-04-24 US disclosed
EP-0368933-A4 COMPOSITIONS COMPRISING 1-OXO- OR THIOHYDROCARBYL SUBSTITUTED AZACYCLOALKANES. WHITBY RES INC (US) 1990-03-28 EP disclosed
WO-1989002735-A1 COMPOSITIONS COMPRISING 1-OXO- OR THIOHYDROCARBYL SUBSTITUTED AZACYCLOALKANES NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-04-06 WO disclosed