SCHEMBL6443992

SCHEMBL6443992

C=CCNC(O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
CES1 P23141 3/20 0.39
SRC P12931 1/20 0.39
AKT1 P31749 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 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
SCHEMBL11667577 0.79 CES1 (0.42) ALDH1A1HPGDLMNAMAPK1TSHR
SCHEMBL4769359 0.79 KCNN4 (0.48) ALDH1A1HPGDLMNAMAPK1TSHR
SCHEMBL6447132 0.76 ALDH1A1 (0.45) ALDH1A1HPGDLMNATSHRPOLB
SCHEMBL197860 0.73 ALDH1A1 (0.56) ALDH1A1HPGDLMNAMAPK1TSHR
SCHEMBL11108368 0.73 ALDH1A1 (0.44) ALDH1A1HPGDLMNATSHRHTT
SCHEMBL5483963 0.73 CES1 (0.46) ALDH1A1HPGDMAPK1TSHRPOLB
SCHEMBL1395461 0.73 CES1 (0.50) ALDH1A1HPGDLMNAMAPK1TSHR
SCHEMBL1252890 0.73 CES1 (0.46) ALDH1A1HPGDMAPK1TSHRPOLB
Acetic Acid SCHEMBL5720116 0.71 ALDH1A1 (0.45) ALDH1A1HPGDLMNAMAPK1TSHR
SCHEMBL9718678 0.71 ALDH1A1 (0.41) ALDH1A1HPGDLMNAMAPK1TSHR

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
US-6680364-B1 Water dispersible polyamides with ethylenically unsaturated ends ATOFINA (FR) 2004-01-20 US claimed
EP-1187869-B1 WATER DISPERSIBLE POLYAMIDES WITH ETHYLENICALLY UNSATURATED ENDS ATOFINA (FR) 2002-12-04 EP claimed
US-8642716-B2 Branched polyamides comprising unsaturated ends ARKEMA FRANCE (FR) 2014-02-04 US disclosed
US-20050245680-A1 Branched polyamides comprising unsaturated ends ARKEMA FRANCE (FR) 2005-11-03 US disclosed
US-6680364-B1 Water dispersible polyamides with ethylenically unsaturated ends ATOFINA (FR) 2004-01-20 US disclosed