SCHEMBL11211535

SCHEMBL11211535

CCCCC1CCC2CC(C(=O)Oc3ccc(C#N)cc3)CCC2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.46
▸ POLB P06746 1/20 0.42
▸ PAX8 Q06710 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ ACACB O00763 1/20 0.34
▸ PGR P06401 1/20 0.34

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
SCHEMBL11211533 1.00 MGLL (0.46) MGLLPOLBPAX8RXFP1GAA
SCHEMBL11073582 0.97 MGLL (0.46) MGLLPOLBPAX8RXFP1HTT
SCHEMBL11073584 0.97 MGLL (0.46) MGLLPOLBPAX8RXFP1HTT
SCHEMBL11209166 0.96 MGLL (0.47) MGLLPOLBPAX8RXFP1HTT
SCHEMBL11208069 0.96 MGLL (0.47) MGLLPOLBPAX8RXFP1HTT
SCHEMBL11212590 0.96 MGLL (0.47) MGLLPOLBPAX8RXFP1HTT
SCHEMBL11211803 0.96 MGLL (0.47) MGLLPOLBPAX8RXFP1HTT
SCHEMBL11212591 0.96 MGLL (0.47) MGLLPOLBPAX8RXFP1HTT
SCHEMBL11208072 0.96 MGLL (0.47) MGLLPOLBPAX8RXFP1HTT
SCHEMBL5686476 0.95 MGLL (0.43) MGLLPOLBPAX8RXFP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4391731-A Hydrogenated naphthalenes HOFFMANN-LA ROCHE INC. (US) 1983-07-05 — — US disclosed
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