SCHEMBL5376779

SCHEMBL5376779

O=C1c2ccc3c4cccc5cccc(c6ccc(c2c36)C(=O)N1CCCCCO)c54

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
KDM4E B2RXH2 5/20 0.68
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
HTT P42858 2/20 0.68
RECQL P46063 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
RGS12 O14924 1/20 0.68
NPC1 O15118 1/20 0.68
LMNA P02545 1/20 0.68
PABPC1 P11940 1/20 0.68
RAB9A P51151 1/20 0.68
HEXA P06865 3/20 0.56
HEXB P07686 3/20 0.56
TERT O14746 3/20 0.53
GAA P10253 1/20 0.53
STAT3 P40763 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC3 O15379 1/20 0.51
LTA4H P09960 1/20 0.51

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
SCHEMBL17718739 0.99 ALDH1A1 (0.69) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL14302831 0.90 KDM4E (0.83) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL8880044 0.89 HEXA (0.71) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL14309279 0.89 KDM4E (0.86) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL17718734 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL8878406 0.86 STAT3 (0.55) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL8165344 0.86 STAT3 (0.55) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL7649614 0.86 STAT3 (0.55) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL8161030 0.86 STAT3 (0.55) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL5375141 0.86 STAT3 (0.55) ALDH1A1KDM4EKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176255-B2 Method for producing aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-20050075453-A1 Method for producing aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAF (DE) 2005-04-07 US disclosed
US-6727318-B1 EMULSION POLYMERIZATION OF ETHYLENICALLY UNSATURATED AND DYE-COMPRISING MONOMERS IN PRESENCE OF FREE-RADICAL INITIATORS BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed