SCHEMBL8769866

SCHEMBL8769866

O=C(O)c1ccccc1COc1ccc2c(c1)CCCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
RXRB P28702 4/20 0.60
RXRA P19793 3/20 0.60
RXRG P48443 3/20 0.60
POLB P06746 1/20 0.60
GFER P55789 1/20 0.60
PAX8 Q06710 1/20 0.60
KLF5 Q13887 1/20 0.60
MRGPRX4 Q96LA9 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
FFAR4 Q5NUL3 3/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50

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
SCHEMBL8769261 0.86 MAPT (0.65) NPC1RAB9ARXRBRXRARXRG
SCHEMBL7769179 0.81 HTR7 (0.48) NPC1RAB9ARXRBRXRARXRG
SCHEMBL5622734 0.79 MEN1 (0.68) NPC1RAB9APOLBL3MBTL1ALOX15
SCHEMBL11600649 0.79 MRGPRX4 (0.61) NPC1RAB9APOLBMRGPRX4TP53
SCHEMBL1368181 0.77 TP53 (0.63) NPC1RAB9AMRGPRX4ALOX15ALDH1A1
SCHEMBL6803346 0.77 TSHR (0.58) NPC1RAB9ARXRBRXRARXRG
SCHEMBL30299191 0.76 HRH3 (0.72) NPC1RAB9ARXRBRXRARXRG
SCHEMBL5657452 0.76 ALOX15 (0.50) NPC1RAB9ARXRBRXRARXRG
SCHEMBL31123683 0.76 MAOB (0.63) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL4452776 0.76 HIF1A (0.61) NPC1RAB9AMRGPRX4TP53FOLH1

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-0617109-B1 Liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL IND (JP) 1997-09-17 EP disclosed
US-5422039-A Having a chiral center-containing a tetralinylene ring as well as a second chiral center; cells having high temperature operating range; high switching speed, low voltage and stable contrast MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-06-06 US disclosed
EP-0617109-A1 Liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-09-28 EP disclosed