SCHEMBL16918696

SCHEMBL16918696

CCCC(C)CCCC1CCC(C(=O)OC2CCC(C3CCC(C)CC3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ NAAA Q02083 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL15671759 0.96 MAPT (0.48) MAPTNAAATP53HTTLMNA
SCHEMBL11405459 0.86 NAAA (0.43) MAPTNAAATP53HTTLMNA
SCHEMBL11422868 0.86 NAAA (0.43) MAPTNAAATP53HTTLMNA
SCHEMBL11408117 0.85 PKM (0.42) MAPTNAAATP53HTTLMNA
SCHEMBL11411211 0.85 PKM (0.42) MAPTNAAATP53HTTLMNA
SCHEMBL11415890 0.84 HTT (0.43) MAPTNAAATP53HTTLMNA
SCHEMBL11411798 0.84 HTT (0.43) MAPTNAAATP53HTTLMNA
SCHEMBL11407732 0.84 HTT (0.43) MAPTNAAATP53HTTLMNA
SCHEMBL11408333 0.84 HTT (0.43) MAPTNAAATP53HTTLMNA
SCHEMBL11412480 0.84 HTT (0.43) MAPTNAAATP53HTTLMNA

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
EP-2896678-A1 Liquid crystal display Merck Patent GmbH (DE) 2015-07-22 — — EP disclosed
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