SCHEMBL13281142

SCHEMBL13281142

NCCC(N)(Cc1ccco1)Cc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
KMT2A Q03164 4/20 0.39
CHRM2 P08172 1/20 0.38
POLB P06746 4/20 0.38
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.35
HPGD P15428 2/20 0.34
EPHX2 P34913 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34

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
SCHEMBL11118607 0.84 GAA (0.42) GAAKMT2ACHRM2POLBALOX5
SCHEMBL8323969 0.74 SLC6A2 (0.45) GAAKMT2ACHRM2POLBALOX5
SCHEMBL18894008 0.73 GAA (0.40) GAAKMT2ACHRM2POLBALOX5
SCHEMBL26657702 0.73 ALDH1A1 (0.40) GAAKMT2ACHRM2POLBALOX5
SCHEMBL8570960 0.70 CHRM2 (0.45) GAAKMT2ACHRM2POLBALOX5
Ethylenediamine SCHEMBL28193 0.70 KMT2A (0.46) GAAKMT2ACHRM2POLBALOX5
SCHEMBL592514 0.70
SCHEMBL43101 0.69
SCHEMBL21386456 0.69 SLC1A3 (0.38) GAACHRM2POLBALOX5ALDH1A1
SCHEMBL8570516 0.69 GAA (0.41) GAAKMT2ACHRM2POLBALOX5

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
CN-103459573-B Balanced dynamic mixtures for controlled release of perfuming aldehydes and ketones FIRMENICH S.A. (CH) 2015-11-25 CN disclosed
EP-2697347-A1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES Firmenich SA (CH) 2014-02-19 EP disclosed
CN-103459573-A Balanced dynamic mixtures for controlled release of perfuming aldehydes and ketones FIRMENICH & CIE 2013-12-18 CN disclosed
WO-2012139912-A1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES FIRMENICH SA (CH) 2012-10-18 WO disclosed