SCHEMBL7049537

SCHEMBL7049537

[CH2]CCCCCNCC=C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.41
KDM1A O60341 4/20 0.39
SMOX Q9NWM0 1/20 0.39
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 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
SCHEMBL1327409 0.97
SCHEMBL7049229 0.90
SCHEMBL17291809 0.89 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL5611725 0.89 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL17291817 0.89 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL17291826 0.89 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL17291829 0.89 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL17291824 0.89 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL3021057 0.89 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
Hydrochloric Acid SCHEMBL3027761 0.87 SMOX (0.50) PAOXKDM1ASMOXCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916853-A OIL OR OIL MIXTURE OF ESTER OF AN AROMATIC TRI OR TETRA CARBOXYLIC ACID WITH ALCOHOL; ESTERS OF TRIMETYLOLPROPANE, PENTAERYTHRIOL OR DIPENTAERYTHRIOL WITH ALIPHATIC CARBOXYLIC ACID; THICKENING AGENTS; WEAR-PROTECTIVE ADDITIVE KLUBER LUBRICATION MUNCHEN KG (DE) 1999-06-29 US claimed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed
US-5916853-A OIL OR OIL MIXTURE OF ESTER OF AN AROMATIC TRI OR TETRA CARBOXYLIC ACID WITH ALCOHOL; ESTERS OF TRIMETYLOLPROPANE, PENTAERYTHRIOL OR DIPENTAERYTHRIOL WITH ALIPHATIC CARBOXYLIC ACID; THICKENING AGENTS; WEAR-PROTECTIVE ADDITIVE KLUBER LUBRICATION MUNCHEN KG (DE) 1999-06-29 US disclosed
US-5916853-A OIL OR OIL MIXTURE OF ESTER OF AN AROMATIC TRI OR TETRA CARBOXYLIC ACID WITH ALCOHOL; ESTERS OF TRIMETYLOLPROPANE, PENTAERYTHRIOL OR DIPENTAERYTHRIOL WITH ALIPHATIC CARBOXYLIC ACID; THICKENING AGENTS; WEAR-PROTECTIVE ADDITIVE KLUBER LUBRICATION MUNCHEN KG (DE) 1999-06-29 US disclosed