SCHEMBL5686476

SCHEMBL5686476

CCCCC1CCC2C(CCC3CC(C(=O)Oc4ccc(C#N)cc4)CCC32)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.43
▸ POLB P06746 1/20 0.40
▸ PAX8 Q06710 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ UBE2N P61088 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ PGR P06401 1/20 0.33

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
SCHEMBL5686475 1.00 MGLL (0.43) MGLLPOLBPAX8RXFP1GAA
SCHEMBL5687309 0.97 MGLL (0.43) MGLLPOLBPAX8RXFP1GAA
SCHEMBL5687313 0.97 MGLL (0.43) MGLLPOLBPAX8RXFP1GAA
SCHEMBL5687276 0.96 MGLL (0.45) MGLLPOLBPAX8RXFP1UBE2N
SCHEMBL5687273 0.96 MGLL (0.45) MGLLPOLBPAX8RXFP1UBE2N
SCHEMBL11211533 0.95 MGLL (0.46) MGLLPOLBPAX8RXFP1GAA
SCHEMBL11211535 0.95 MGLL (0.46) MGLLPOLBPAX8RXFP1GAA
SCHEMBL5684216 0.94 POLB (0.41) MGLLPOLBPAX8RXFP1MAPT
SCHEMBL5684221 0.94 POLB (0.41) MGLLPOLBPAX8RXFP1MAPT
SCHEMBL11073582 0.92 MGLL (0.46) MGLLPOLBPAX8RXFP1UBE2N

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 — — US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 — — EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 — — EP disclosed
US-4585576-A 7/ALKYL-PERHYDROPHENANTHRENE-2-CARBOXYLIC ACIDS AND ESTERS VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1986-04-29 — — US disclosed
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