SCHEMBL6653317

SCHEMBL6653317

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRIN2D O15399 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
KDR P35968 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
SCHEMBL6654946 0.92 PKM (0.54) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL10526051 0.90 EGFR (0.53) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL6934860 0.88 ESR1 (0.50) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL24240108 0.87 GRIN2D (0.62) MAPK1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL10521282 0.86 ESR1 (0.50) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL24517722 0.85 HDAC6 (0.55) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL24517517 0.85 HDAC6 (0.55) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL6654130 0.84 ESR1 (0.71) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL19763407 0.83 ESR1 (0.53) ESR1TSHRMAPK1LMNACYP1A2
SCHEMBL10521619 0.83 ESR1 (0.48) ESR1TSHRMAPK1LMNACYP1A2

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-1120399-A1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 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
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