SCHEMBL6235486

SCHEMBL6235486

CCCCCCCCCCCCC1C=CNC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.36
CYP1A2 P05177 2/20 0.35
NFKB1 P19838 3/20 0.35
NFKB2 Q00653 3/20 0.35
RELA Q04206 3/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HLCS P50747 1/20 0.34
CYP19A1 P11511 3/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9647065 1.00 DNTT (0.36) DNTTCYP1A2NFKB1NFKB2RELA
SCHEMBL10830921 0.71 S1PR3 (0.34) ALDH1A1POLB
SCHEMBL11766874 0.71 NFKB1 (0.41) DNTTCYP1A2NFKB1NFKB2RELA
SCHEMBL587248 0.69 HLCS (0.37) DNTTCYP1A2ALDH1A1L3MBTL1PPARG
SCHEMBL14994944 0.68 CYP19A1 (0.37) CYP1A2ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL5442521 0.67 ALDH1A1 (0.45) CYP1A2ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL10005090 0.67 ALDH1A1 (0.45) CYP1A2ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4021367 0.67 DNTT (0.42) DNTTCYP1A2NFKB1NFKB2RELA
SCHEMBL663701 0.67 CYP1A2 (0.39) DNTTCYP1A2NFKB1NFKB2RELA
SCHEMBL665389 0.67 CYP1A2 (0.39) DNTTCYP1A2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005568-A1 FLUOROCARBON, OXYGENATED AND NON-OXYGENATED LUBRICANT, AND COMPATIBILIZER COMPOSITION, AND METHOD FOR REPLACING REFRIGERATION COMPOSITION IN A REFRIGERATION SYSTEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-01-20 WO disclosed
EP-1451263-A1 REFRIGERANT COMPOSITIONS CONTAINING A COMPATIBILIZER AND USE THEREOF IN A COMPRESSION REFRIGERATION APPARATUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-09-01 EP disclosed
WO-2003104364-A1 FLUOROCARBON, OXYGENATED AND NON-OXYGENATED LUBRICANT, AND COMPATIBILIZER COMPOSITION, AND METHOD FOR REPLACING REFRIGERATION COMPOSITION IN A REFRIGERATION SYSTEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-12-18 WO disclosed
WO-2003050200-A1 REFRIGERANT COMPOSITIONS CONTAINING A COMPATIBILIZER AND USE THEROF IN A COMPRESSION REFRIGERATION APPARATUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-06-19 WO disclosed