SCHEMBL6853043

SCHEMBL6853043

CCCCCCOc1ccc2cc(-c3ccc(OCCCCC)cc3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.58
NR5A1 Q13285 1/20 0.56
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
TSHR P16473 2/20 0.50
LTA4H P09960 2/20 0.50
TP53 P04637 1/20 0.50
THRA P10827 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PLA2G4B P0C869 1/20 0.49
PTPN11 Q06124 1/20 0.48

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
SCHEMBL6851556 1.00 RARB (0.58) RARBNR5A1CYP3A4CYP2D6TSHR
SCHEMBL6851493 1.00 RARB (0.58) RARBNR5A1CYP3A4CYP2D6TSHR
SCHEMBL6853512 1.00 RARB (0.58) RARBNR5A1CYP3A4CYP2D6TSHR
SCHEMBL14423953 0.92 RARB (0.50) RARBNR5A1CYP3A4CYP2D6TSHR
SCHEMBL31069791 0.89 MEN1 (0.52) RARBCYP3A4TSHRPTPN11
SCHEMBL2790052 0.89 MEN1 (0.52) RARBCYP3A4TSHRPTPN11
SCHEMBL4083443 0.89 MEN1 (0.52) RARBCYP3A4TSHRPTPN11
SCHEMBL10642885 0.89 NR5A1 (0.62) NR5A1TSHRLTA4HTP53THRA
SCHEMBL347683 0.89 NR5A1 (0.62) NR5A1TSHRLTA4HTP53THRA
SCHEMBL4945033 0.89 NR5A1 (0.62) NR5A1TSHRLTA4HTP53THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061114-B1 Binder-loaded type charge-transport liquid crystal material DAINIPPON PRINTING CO LTD (JP) 2004-09-08 EP disclosed
US-6783697-B2 IN SPITE OF THE PRESENCE OF THE BINDER, CAN SUBSTANTIALLY RETAIN THE PROPERTIES INHERENT IN THE LIQUID CRYSTAL COMPOUND. DAI NIPPON PRINTING CO., LTD. (JP) 2004-08-31 US disclosed
US-20030151026-A1 Binder-loaded type charge -transport liquid crystal material DAI NIPPON PRINTING CO., LTD. (JP) 2003-08-14 US disclosed
US-6558573-B1 Can retain inherent properties like a high level of carrier mobility of the liquid crystal compound; materials are soluble in each other; 2-(4'-pentyloxyphenyl)-6-decyloxynaphthalene, binder is polystyrene DAI NIPPON PRINTING CO., LTD. (JP) 2003-05-06 US disclosed
EP-1061114-A1 Binder-loaded type charge-transport liquid crystal material DAI NIPPON PRINTING CO., LTD. (JP) 2000-12-20 EP disclosed