SCHEMBL3986170

SCHEMBL3986170

N=C(N)N(CC1CCCC1)CC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.48
NOS2 P35228 3/20 0.39
EPHX1 P07099 1/20 0.32

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
SCHEMBL10591587 0.79 ALOX5 (0.47) ALOX5NOS2
SCHEMBL7760755 0.74 ALOX5 (0.67) ALOX5EPHX1
SCHEMBL3447028 0.67
SCHEMBL20343561 0.66 ALOX5 (0.47) ALOX5
SCHEMBL895491 0.66
Hydrochloric Acid SCHEMBL1086099 0.66 ALOX5 (0.36) ALOX5
SCHEMBL9308307 0.65 ALOX5 (1.00) ALOX5EPHX1
Hydrochloric Acid SCHEMBL4163132 0.65 NOS2 (0.42) ALOX5NOS2EPHX1
SCHEMBL8314139 0.65 NOS2 (0.42) ALOX5NOS2EPHX1
SCHEMBL20402874 0.65 NOS2 (0.42) ALOX5NOS2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed