SCHEMBL8219663

SCHEMBL8219663

CCC(C)COc1cc(O)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.45
ALOX5 P09917 1/20 0.45
TLR8 Q9NR97 1/20 0.43
KDM4E B2RXH2 4/20 0.42
PKM P14618 1/20 0.42
CYP2D6 P10635 1/20 0.40
FFAR1 O14842 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 3/20 0.39
ADRB1 P08588 1/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MCHR1 Q99705 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 1/20 0.37
GPR88 Q9GZN0 3/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL10764460 0.82 KDM4E (0.44) TLR8KDM4EPKMFFAR1MEN1
SCHEMBL10905811 0.82 EGFR (0.53) KDM4EPKMFFAR1MEN1KMT2A
SCHEMBL27315842 0.82 ADRB2 (0.51) TLR8KDM4EPKMMEN1KMT2A
SCHEMBL5414689 0.77 KDM4E (0.43) ESR2ALOX5KDM4EPKMMEN1
SCHEMBL8880080 0.77 KDM4E (0.51) ESR2ALOX5KDM4EMEN1KMT2A
SCHEMBL9636701 0.75 KDM4E (0.50) ESR2ALOX5KDM4EALDH1A1SMN1; SMN2
SCHEMBL6827468 0.75 TLR8 (0.44) TLR8KDM4EPKMCYP2D6FFAR1
SCHEMBL9224458 0.75 KDM4E (0.50) ESR2ALOX5KDM4EALDH1A1SMN1; SMN2
SCHEMBL9194402 0.75 KDM4E (0.50) ESR2ALOX5KDM4EALDH1A1SMN1; SMN2
Methane SCHEMBL27790275 0.75 KDM4E (0.50) ESR2ALOX5KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6049000-A Compounds and their application as well as a method of producing liquid crystalline polymers therefrom DAIMLERCHRYSLER AG (DE) 2000-04-11 US disclosed
EP-0219958-B1 FERROELECTRIC LIQUID CRYSTAL ESTER COMPOUND AND LIQUID CRYSTAL COMPOSITION Chisso Corporation (JP) 1990-12-19 EP disclosed
EP-0228703-A2 Ferroelectric liquid crystal polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-15 EP disclosed
EP-0219958-A2 Ferroelectric liquid crystal ester compound and liquid crystal composition Chisso Corporation (JP) 1987-04-29 EP disclosed