SCHEMBL8053902

SCHEMBL8053902

CCOCCCCC[C@@H](OC(=O)C1=Cc2ccc(OCc3ccccc3)cc2CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
FFAR1 O14842 4/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
KLF5 Q13887 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 1/20 0.35
CTRC Q99895 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL8069956 0.90 PSEN1 (0.40) S1PR1S1PR3ALOX5CTRCMAOA
SCHEMBL8069870 0.85 ABHD6 (0.31)
SCHEMBL8064435 0.81 RARB (0.38) NPC1POLB
SCHEMBL8167025 0.81 MAOB (0.41) FFAR1MAOAMAOB
SCHEMBL8606959 0.78 FFAR1 (0.40) FFAR1
SCHEMBL8065256 0.75 ALOX5 (0.46) S1PR1S1PR3NPC1POLBRAB9A
SCHEMBL8053912 0.74 RARB (0.41) NPC1POLB
SCHEMBL8064268 0.74 ABHD6 (0.34) L3MBTL1
SCHEMBL8069951 0.72 MAOA (0.44) ITGB3ITGA2BALOX5CTRCMAOA
SCHEMBL8064409 0.72 MAOB (0.51) S1PR1S1PR3NPC1POLBRAB9A

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-0826659-B1 POLYCYCLIC COMPOUND, LIQUID-CRYSTAL MATERIAL COMPOSED OF THE COMPOUND, AND LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DEVICE CONTAINING THE MATERIAL MITSUI CHEMICALS INC (JP) 2000-06-14 EP disclosed
US-6019911-A CAPABLE OF BEING IN A SMECTIC PHASE IN A WIDE TEMPERATURE RANGE INCLUDING ROOM TEMPERATURE; CAN BE USED AS A FERROELECTRIC LIQUID CRYSTAL MATERIAL OR AN ANTIFERROELECTRIC LIQUID MITSUI CHEMICALS, INC. (JP) 2000-02-01 US disclosed
EP-0826659-A1 POLYCYCLIC COMPOUND, LIQUID-CRYSTAL MATERIAL COMPOSED OF THE COMPOUND, AND LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DEVICE CONTAINING THE MATERIAL MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP disclosed