SCHEMBL10450697

SCHEMBL10450697

CCCCCOC(=O)[C@@]1(C)CC[C@@H](C2CCC([C@H]3CC[C@H](CCCC)CC3)CC2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 9/20 0.35
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ASAH1 Q13510 1/20 0.32

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
SCHEMBL10449523 1.00 NAAA (0.35) NAAAGAAMAPTASAH1
SCHEMBL10450663 0.99 NAAA (0.36) NAAA
SCHEMBL10449475 0.99 NAAA (0.36) NAAA
SCHEMBL10451012 0.98 NAAA (0.37) NAAAASAH1
SCHEMBL10451051 0.97 NAAA (0.38) NAAAASAH1
SCHEMBL10450355 0.97 NAAA (0.38) NAAAASAH1
SCHEMBL10451099 0.97 NAAA (0.38) NAAAASAH1
SCHEMBL10451158 0.97 NAAA (0.38) NAAAASAH1
SCHEMBL10450316 0.97 NAAA (0.38) NAAAASAH1
SCHEMBL10451258 0.97 NAAA (0.34) NAAAGAAMAPT

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-4943384-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-07-24 US disclosed