SCHEMBL7754579

SCHEMBL7754579

CCCCCCCCCCCCCCCC(=O)Oc1ccc(CCCc2ccc(OC(=O)CCCCCCCCCCCCCCC)cc2O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.61
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX5 P09917 1/20 0.55
MAPT P10636 1/20 0.55
TYR P14679 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CNR1 P21554 4/20 0.55
PRSS1 P07477 1/20 0.55
ACR P10323 1/20 0.55

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
SCHEMBL7751126 1.00 CNR2 (0.61) CNR2MEN1TP53CYP3A4ALOX5
SCHEMBL7755450 1.00 CNR2 (0.61) CNR2MEN1TP53CYP3A4ALOX5
SCHEMBL7755667 1.00 CNR2 (0.61) CNR2MEN1TP53CYP3A4ALOX5
SCHEMBL3954838 0.97 CNR2 (0.64) CNR2MEN1TP53CYP3A4ALOX5
SCHEMBL3952691 0.90 CNR2 (0.57) CNR2MEN1TP53CYP3A4ALOX5
SCHEMBL7755433 0.90 TYR (0.50) CNR2MEN1TP53CYP3A4ALOX5
SCHEMBL3948574 0.88 TSHR (0.55) CNR2MEN1TP53CYP3A4ALOX5
SCHEMBL3035441 0.87 HTR1A (0.59) CNR2MEN1TP53CYP3A4ALOX5
SCHEMBL7751114 0.86 KMT2A (0.54) CNR2MEN1ALOX15TSHRKMT2A
SCHEMBL7754630 0.86 KMT2A (0.54) CNR2MEN1ALOX15TSHRKMT2A

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