SCHEMBL2173053

SCHEMBL2173053

CCCCCC(CC)NC(C)N[C]=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
OPRM1 P35372 1/20 0.33
CA1 P00915 3/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
CA2 P00918 1/20 0.31
PLA2G2A P14555 1/20 0.31
BIRC2 Q13490 1/20 0.31
ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL2170362 0.84 MAPT (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL270644 0.83 MAPT (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4978853 0.81 MAPT (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22395233 0.81 MAPT (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL270648 0.78 MAPT (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11111748 0.77 MAPT (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL270098 0.77 MAPT (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL270409 0.77 ALDH1A1 (0.37) CA1CA2
SCHEMBL164830 0.76 OPRM1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3026850 0.75 DNM1 (0.41) ADH1BADH1CADH1AADH4ADH7

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-2346474-A1 PULVERULENT STYLING COMPOSITION Henkel AG & Co. KGaA (DE) 2011-07-27 EP disclosed
WO-2010054980-A1 PULVERULENT STYLING COMPOSITION HENKEL AG & CO. KGAA (DE) 2010-05-20 WO disclosed