SCHEMBL4102397

SCHEMBL4102397

CCCN(C(=N)NC1CCCC1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADH1A P07327 2/20 0.38
ADH1C P00326 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL9545129 0.85 SIGMAR1 (0.48) EPHX1KMT2AMEN1SIGMAR1
SCHEMBL3915506 0.76 SIGMAR1 (0.40) EPHX1KDM4EALDH1A1ADH1AADH1C
Hydrochloric Acid SCHEMBL9429210 0.74 EPHX1 (0.37) EPHX1KMT2ASIGMAR1PKM
SCHEMBL3911158 0.72 EPHX1 (0.39) EPHX1KDM4EALDH1A1CA12CA1
SCHEMBL3295728 0.71 EPHX1 (0.43) EPHX1KDM4EALDH1A1CA12CA1
SCHEMBL10144655 0.70 KMT2A (0.42) EPHX1KDM4EALDH1A1KMT2ASIGMAR1
SCHEMBL28004819 0.70 EPHX1 (0.49) EPHX1KDM4EALDH1A1
SCHEMBL9462350 0.69 ADH1A (0.47) ALDH1A1ADH1AADH1CKMT2AMEN1
SCHEMBL9351634 0.69 EPHX1 (0.51) EPHX1KDM4EALDH1A1SIGMAR1
SCHEMBL27510927 0.68 EPHX1 (0.52) EPHX1SIGMAR1

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