SCHEMBL6654946

SCHEMBL6654946

CC(C)CCOC(=O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 3/20 0.52
HSD17B10 Q99714 1/20 0.52
ESR1 P03372 4/20 0.47
TSHR P16473 2/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45

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
SCHEMBL6653317 0.92 ESR1 (0.50) PKMALDH1A1KMT2AKDM4EGAA
SCHEMBL10526051 0.90 EGFR (0.53) PKMALDH1A1KMT2AKDM4EGAA
SCHEMBL19539145 0.87 GRIN2D (0.57) PKMALDH1A1KMT2AKDM4EGAA
SCHEMBL19763407 0.86 ESR1 (0.53) ALDH1A1KMT2AMAPK1ESR1TSHR
SCHEMBL6655844 0.85 ADRB2 (0.51) ALDH1A1KMT2AESR1TSHRCHRM1
SCHEMBL1257797 0.84 ESR1 (0.66) PKMALDH1A1KMT2AKDM4EGAA
SCHEMBL5599708 0.83 ESR1 (0.70) ALDH1A1KMT2AKDM4EGAAMAPK1
SCHEMBL10521282 0.83 ESR1 (0.50) ALDH1A1KMT2AGAAMAPK1ESR1
SCHEMBL6934860 0.82 ESR1 (0.50) ALDH1A1KDM4EMAPK1ESR1TSHR
SCHEMBL24517722 0.81 HDAC6 (0.55) ALDH1A1KMT2AMAPK1ESR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120399-B1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2004-06-09 EP disclosed
EP-1120400-B1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2003-09-24 EP disclosed
EP-0757032-B1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-12-12 EP disclosed
EP-1120400-A1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 EP disclosed
EP-1120399-A1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 EP disclosed
US-5861108-A IMPROVES HIGH SPEED RESPONSE PROPERTY AND TEMPERATURE DEPENDENCY OF THE RESPONSE TIME MITSUI CHEMICALS, INC. (JP) 1999-01-19 US disclosed
EP-0757032-A2 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-02-05 EP disclosed