SCHEMBL3248703

SCHEMBL3248703

CCN1C(=O)N(C)C(Cl)(Cl)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
CTRC Q99895 1/20 0.44
NPSR1 Q6W5P4 2/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
MGLL Q99685 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
PLA2G7 Q13093 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
SCHEMBL8582589 0.78 F2 (0.44) F2ELANECTSGCTRCNPSR1
SCHEMBL419379 0.77 F2 (0.48) F2ELANECTSGCTRCNPSR1
SCHEMBL5532101 0.72 F2 (0.42) F2ELANECTSGCTRCNPSR1
SCHEMBL1363314 0.72 F2 (0.42) F2ELANECTSGCTRCNPSR1
SCHEMBL544934 0.72 ALDH1A1 (0.35) ALDH1A1LMNAMAPT
SCHEMBL1362966 0.69 F2 (0.39) F2ELANECTSGCTRCNPSR1
SCHEMBL8463079 0.67 F2 (0.41) F2ELANECTSGCTRCNPSR1
SCHEMBL9693950 0.66 F2 (0.35) F2ELANECTSGCTRC
SCHEMBL3252049 0.65 F2 (0.33) F2ELANECTSGCTRCNPSR1
SCHEMBL5586971 0.65 ELANE (0.44) F2ELANECTSGCTRCNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556547-B1 ADDITIVE AND METHOD FOR AVOIDING OR AT LEAST REDUCING DEPOSITS IN WATER BEARING AND/OR CONTACTING INDUSTRIAL SYSTEMS POHLEN ALFRED (LU) 2010-05-12 EP claimed
EP-1556547-A1 ADDITIVE AND METHOD FOR AVOIDING OR AT LEAST REDUCING DEPOSITS IN WATER BEARING AND/OR CONTACTING INDUSTRIAL SYSTEMS Pohlen, Alfred (LU) 2005-07-27 EP claimed
WO-2004031481-A1 ADDITIVE AND METHOD FOR AVOIDING OR AT LEAST REDUCING DEPOSITS IN WATER BEARING AND/OR CONTACTING INDUSTRIAL SYSTEMS POHLEN ALFRED (LU) 2004-04-15 WO claimed