SCHEMBL3079822

SCHEMBL3079822

CCCCCC(C)(C)NC(=O)c1cc(N)cc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.38
CNR2 P34972 9/20 0.38
FDPS P14324 2/20 0.38
SMPD1 P17405 2/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.36
POLB P06746 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
SCHEMBL688943 0.85 MAPT (0.47) CNR1CNR2ALDH1A1POLB
SCHEMBL21335533 0.84 MAPT (0.49) CNR1CNR2ALDH1A1POLB
SCHEMBL3079819 0.78 POLB (0.60) ALDH1A1EPHX1POLB
SCHEMBL1948576 0.77 MEN1 (0.46) ALDH1A1
SCHEMBL3072804 0.77 HTT (0.55) ALDH1A1
SCHEMBL1886121 0.76 SMPD1 (0.44) SMPD1
SCHEMBL1947907 0.75 MAPT (0.40) CNR1CNR2ALDH1A1
SCHEMBL1947888 0.75 LMNA (0.41) CNR1CNR2ALDH1A1
SCHEMBL3076922 0.75 POLB (0.44) POLB
SCHEMBL13139946 0.74 POLB (0.60) ALDH1A1EPHX1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 US disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 WO disclosed