SCHEMBL6560582

SCHEMBL6560582

CCCCCCCCN1CCC(=O)NC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
GNAI3 P08754 5/20 0.41
GNAO1 P09471 5/20 0.41
GNAI1 P63096 5/20 0.41
MGLL Q99685 3/20 0.40
FAAH O00519 2/20 0.40
HTR1A P08908 1/20 0.39
PKM P14618 1/20 0.39
PLA2G2A P14555 1/20 0.39
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SETD7 Q8WTS6 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 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
SCHEMBL20376275 0.98 ALOX5 (0.46) ALOX5GNAI3GNAO1GNAI1MGLL
SCHEMBL13178226 0.83 ALOX5 (0.45) ALOX5GNAI3GNAO1GNAI1FAAH
SCHEMBL8029443 0.80 ALOX5 (0.41) ALOX5GNAI3GNAO1GNAI1MGLL
SCHEMBL11389517 0.77 MEN1 (0.43) ALOX5GNAI3GNAO1GNAI1FAAH
SCHEMBL3738816 0.76 GNAI3 (0.52) ALOX5GNAI3GNAO1GNAI1MGLL
SCHEMBL3731537 0.76 GNAI3 (0.52) ALOX5GNAI3GNAO1GNAI1MGLL
SCHEMBL3729275 0.76 GNAI3 (0.52) ALOX5GNAI3GNAO1GNAI1MGLL
SCHEMBL3734709 0.76 GNAI3 (0.52) ALOX5GNAI3GNAO1GNAI1MGLL
SCHEMBL8537776 0.76 GNAI3 (0.52) ALOX5GNAI3GNAO1GNAI1MGLL
SCHEMBL3729284 0.76 GNAI3 (0.52) ALOX5GNAI3GNAO1GNAI1MGLL

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 7 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-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