SCHEMBL7755696

SCHEMBL7755696

CCCC(=O)Oc1ccc(CCCc2ccc(OC(=O)CCC)cc2OC(=O)CCC)c(OC(=O)CCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 1/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 2/20 0.44
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
ELANE P08246 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CA2 P00918 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7751086 0.90 KMT2A (0.54) KMT2AALDH1A1MEN1TSHRALOX15
SCHEMBL7751114 0.90 KMT2A (0.54) KMT2AALDH1A1MEN1TSHRALOX15
SCHEMBL7755680 0.90 KMT2A (0.54) KMT2AALDH1A1MEN1TSHRALOX15
SCHEMBL7754630 0.90 KMT2A (0.54) KMT2AALDH1A1MEN1TSHRALOX15
SCHEMBL7755433 0.85 TYR (0.50) KMT2AALDH1A1MEN1TSHRBCL9
SCHEMBL7656402 0.85 ALOX15 (0.48) KMT2AALDH1A1MEN1BCL9CTNNB1
SCHEMBL7754647 0.79 KDM4E (0.57) KMT2AALDH1A1MEN1TSHRKDM4E
SCHEMBL4381957 0.78 BCL9 (0.53) KMT2AALDH1A1MEN1BCL9CTNNB1
SCHEMBL120380 0.78 KMT2A (0.48) KMT2AALDH1A1MEN1BCL9CTNNB1
SCHEMBL28159033 0.78 MTNR1A (0.47) KMT2AALDH1A1BCL9CTNNB1KDM4E

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