SCHEMBL6561542

SCHEMBL6561542

CCCCCCCCN1CCCN(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
GBA1 P04062 2/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MGLL Q99685 3/20 0.40
FAAH O00519 2/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
PER2 O15055 1/20 0.38
ALDH1A1 P00352 3/20 0.37
S1PR1 P21453 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
G6PD P11413 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL27677921 1.00 ALOX5 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL21808765 0.93 ALOX5 (0.41) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL13504054 0.92 PER2 (0.39) ALOX5GBA1PER2ALDH1A1GAA
SCHEMBL17836960 0.90 ALOX5 (0.47) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL9322926 0.89 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL10721244 0.89 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL31729293 0.89 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL4602079 0.89 ALOX5 (0.46) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL6561436 0.89 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL10721232 0.89 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL

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 8 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
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-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