SCHEMBL990396

SCHEMBL990396

CCCCCCCCCCCCCCCCCC(C)NO

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.54
ADH1C P00326 1/20 0.54
ADH1A P07327 1/20 0.54
ADH4 P08319 1/20 0.54
ADH7 P40394 1/20 0.54
SPHK1 Q9NYA1 1/20 0.46
LMNA P02545 1/20 0.46
OPRM1 P35372 1/20 0.44
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FDPS P14324 3/20 0.41
CA1 P00915 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL1117801 1.00 ADH1B (0.54) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13213123 0.97
SCHEMBL1117588 0.90
Benzene SCHEMBL28779887 0.83 ADRB2 (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14142731 0.79 ADH1B (0.58) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4603730 0.79 ADH1B (0.58) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4660468 0.79 ADH1B (0.58) ADH1BADH1CADH1AADH4ADH7
SCHEMBL277135 0.79 ADH1B (0.58) ADH1BADH1CADH1AADH4ADH7
SCHEMBL16223598 0.79 ADH1B (0.58) ADH1BADH1CADH1AADH4ADH7
SCHEMBL570864 0.79 ADH1B (0.58) 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-2456817-A1 DERIVATIVES OF DIPHOSPHINES AS FLAME RETARDANTS IN AROMATIC AND/OR HETEROAROMATIC EPOXY RESINS BASF SE (DE) 2012-05-30 EP disclosed
WO-2011009876-A1 DERIVATIVES OF DIPHOSPHINES AS FLAME RETARDANTS IN AROMATIC AND/OR HETEROAROMATIC EPOXY RESINS BASF SE (DE) 2011-01-27 WO disclosed