SCHEMBL6561453

SCHEMBL6561453

CCCCCCCCC1NC(=O)NC1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.65
RIN1 Q13671 7/20 0.65
NR2E3 Q9Y5X4 3/20 0.65
PPARG P37231 2/20 0.65
NCOR2 Q9Y618 2/20 0.65
IDE P14735 1/20 0.65
TDP1 Q9NUW8 6/20 0.62
ALDH1A1 P00352 5/20 0.49
NSD2 O96028 3/20 0.49
MAPK10 P53779 2/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HPGD P15428 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HLCS P50747 2/20 0.45
FUCA1 P04066 1/20 0.44
GBA1 P04062 3/20 0.38

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
SCHEMBL30980779 1.00 ABL1 (0.65) ABL1RIN1NR2E3PPARGNCOR2
SCHEMBL30980800 0.83 ABL1 (0.68) ABL1RIN1NR2E3PPARGNCOR2
SCHEMBL20635796 0.82 TDP1 (0.66) ABL1RIN1NR2E3PPARGNCOR2
SCHEMBL21957563 0.82 TDP1 (0.66) ABL1RIN1NR2E3PPARGNCOR2
SCHEMBL2381946 0.79 ALDH1A1 (0.47) ABL1RIN1NR2E3PPARGNCOR2
SCHEMBL143996 0.79 ABL1 (1.00) ABL1RIN1NR2E3PPARGNCOR2
SCHEMBL19008240 0.79 ABL1 (0.77) ABL1RIN1NR2E3PPARGNCOR2
SCHEMBL22652870 0.79 ABL1 (0.77) ABL1RIN1NR2E3PPARGNCOR2
SCHEMBL143997 0.79 ABL1 (1.00) ABL1RIN1NR2E3PPARGNCOR2
SCHEMBL14956497 0.79 ABL1 (1.00) ABL1RIN1NR2E3PPARGNCOR2

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 6 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 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