SCHEMBL7755680

SCHEMBL7755680

CCCCCCCC(=O)Oc1ccc(CCCc2ccc(OC(=O)CCCCCCC)cc2OC(=O)CCCCCCC)c(OC(=O)CCCCCCC)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.53
HTR1A P08908 1/20 0.51
HTR1B P28222 1/20 0.51
CNR2 P34972 6/20 0.49
CNR1 P21554 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX15 P16050 1/20 0.48
TOP2A P11388 2/20 0.47
CA2 P00918 2/20 0.46

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
SCHEMBL7754630 1.00 KMT2A (0.54) KMT2AMEN1ALDH1A1TSHRHTR1A
SCHEMBL7751086 1.00 KMT2A (0.54) KMT2AMEN1ALDH1A1TSHRHTR1A
SCHEMBL7751114 1.00 KMT2A (0.54) KMT2AMEN1ALDH1A1TSHRHTR1A
SCHEMBL7755696 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1TSHRHTR1A
SCHEMBL7754579 0.86 CNR2 (0.61) KMT2AMEN1TSHRCNR2CNR1
SCHEMBL7755667 0.86 CNR2 (0.61) KMT2AMEN1TSHRCNR2CNR1
SCHEMBL7751126 0.86 CNR2 (0.61) KMT2AMEN1TSHRCNR2CNR1
SCHEMBL7755450 0.86 CNR2 (0.61) KMT2AMEN1TSHRCNR2CNR1
SCHEMBL24372296 0.86 HTR1A (0.53) KMT2AMEN1ALDH1A1TSHRHTR1A
SCHEMBL3954838 0.83 CNR2 (0.64) KMT2AMEN1TSHRCNR2CNR1

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
EP-0811595-B1 HYDROCHALCONE DERIVATIVES, COMESTIC COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR THE PREPARATION OF BOTH MITSUI CHEMICALS INC (JP) 2001-02-07 EP disclosed
US-5880314-A DEPIGMENTING; SAFE TO SKIN, STORAGE STABLE MITSUI CHEMICALS, INC. (JP) 1999-03-09 US disclosed
EP-0811595-A1 HYDROCHALCONE DERIVATIVES, COMESTIC COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR THE PREPARATION OF BOTH MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-12-10 EP disclosed