SCHEMBL6561447

SCHEMBL6561447

CCCCC(CC)CC1CCNC(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 4/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE4A P27815 2/20 0.30
MAPK1 P28482 2/20 0.30
PDE4D Q08499 2/20 0.30
TNF P01375 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL7745201 0.71
SCHEMBL22193309 0.71 LMNA (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL23844748 0.70 DPP7 (0.40) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL20725553 0.70 DPP7 (0.40) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL23844547 0.70 DPP7 (0.40) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL465203 0.70 DPP7 (0.40) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL21859851 0.67 PRCP (0.34) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL11614258 0.67 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL22193294 0.66 LMNA (0.41) ALDH1A1CA2LMNAKMT2A
SCHEMBL6131190 0.66 GNAO1 (0.41) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976796-B1 Cyclic urea surfactants AIR PROD & CHEM (US) 2004-09-22 EP claimed
US-6238849-B1 CLEANING COMPOSITIONS MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2001-05-29 US claimed
EP-0976796-A2 Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-02-02 EP claimed
US-5972431-A Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-10-26 US claimed
EP-0976796-B1 Cyclic urea surfactants AIR PROD & CHEM (US) 2004-09-22 EP disclosed
US-6262156-B1 FOR WATER-BASED COMPOSITIONS, PARTICULARLY COATING, INK, AND AGRICULTURAL COMPOSITIONS, MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION BY INCORPORATION OF A SURFACE TENSION REDUCING CERTAIN CYCLIC UREA COMPOUNDS AIR PRODUCTS AND CHEMICALS, INC. 2001-07-17 US disclosed
US-6238849-B1 CLEANING COMPOSITIONS MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2001-05-29 US disclosed
US-6179906-B1 REDUCING SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2001-01-30 US disclosed
EP-0976796-A2 Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-02-02 EP disclosed
US-5972431-A Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-10-26 US disclosed