SCHEMBL7754647

SCHEMBL7754647

CC(=O)Oc1ccc(CCCc2ccc(OC(C)=O)cc2OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 4/20 0.48
PKM P14618 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
ALOX5 P09917 2/20 0.47
TSHR P16473 1/20 0.46
CYP3A4 P08684 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
POLB P06746 2/20 0.42
CA12 O43570 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
SCHEMBL7757054 0.92 CYP3A4 (0.50) KDM4EMAPTMAPK1LMNAPKM
SCHEMBL7754180 0.92 KDM4E (0.50) KDM4EMAPTMAPK1LMNAPKM
SCHEMBL7751068 0.88 TYR (0.50) KDM4EMAPTHTTALOX5TSHR
SCHEMBL7755513 0.86 ESR1 (0.50) KDM4EMAPTHTTALOX5TSHR
SCHEMBL7755725 0.84 CYP3A4 (0.47) KDM4EMAPTHTTALOX5TSHR
SCHEMBL27449392 0.84 KDM4E (0.59) KDM4EMAPTMAPK1LMNAPKM
Hydrochloric Acid SCHEMBL4743941 0.82 KDM4E (0.50) KDM4EMAPTMAPK1LMNAPKM
SCHEMBL7754618 0.82 ESR1 (0.55) KDM4EMAPTLMNAHTTALOX5
SCHEMBL5694415 0.80 CYP19A1 (0.48) KDM4EMAPTMAPK1LMNAPKM
SCHEMBL7755696 0.79 KMT2A (0.48) KDM4EMAPTLMNAHTTRAB9A

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