SCHEMBL18082053

SCHEMBL18082053

CCCC(C)CCCC1CCC(C(=O)OC2CCC(OC)C(F)C2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ PKM P14618 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
SCHEMBL15250406 0.79 MAPT (0.39) MAPT
SCHEMBL16378173 0.79 MAPT (0.39) MAPT
SCHEMBL15250123 0.78 NAAA (0.35) MAPT
SCHEMBL15671759 0.76 MAPT (0.48) MAPTTP53POLBHPGDGAA
SCHEMBL17523462 0.75 MAPT (0.36) MAPT
SCHEMBL15250127 0.75 MAPT (0.33) MAPT
SCHEMBL16918696 0.74 MAPT (0.45) MAPTTP53POLBHPGDGAA
SCHEMBL18307208 0.73 MAPT (0.36) MAPT
SCHEMBL16588496 0.72 CHRM2 (0.31) —
SCHEMBL15752236 0.71 MAPT (0.36) MAPT

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-3067405-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2016-09-14 — — EP disclosed
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