SCHEMBL10450355

SCHEMBL10450355

CCCCCCCOC(=O)[C@@]1(C)CCC(C2CCC([C@H]3CC[C@H](CCCCCCC)CC3)CC2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 9/20 0.38
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ASAH1 Q13510 1/20 0.33
CYP1A2 P05177 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
SCHEMBL10451158 1.00 NAAA (0.38) NAAAALDH1A1POLBL3MBTL1MEN1
SCHEMBL10450316 1.00 NAAA (0.38) NAAAALDH1A1POLBL3MBTL1MEN1
SCHEMBL10451051 1.00 NAAA (0.38) NAAAALDH1A1POLBL3MBTL1MEN1
SCHEMBL10451099 1.00 NAAA (0.38) NAAAALDH1A1POLBL3MBTL1MEN1
SCHEMBL10451012 0.99 NAAA (0.37) NAAAASAH1CYP1A2
SCHEMBL10450245 0.98 NAAA (0.36) NAAAALDH1A1POLBL3MBTL1MEN1
SCHEMBL10449475 0.98 NAAA (0.36) NAAA
SCHEMBL10450663 0.98 NAAA (0.36) NAAA
SCHEMBL10450480 0.98 NAAA (0.36) NAAAALDH1A1POLBL3MBTL1MEN1
SCHEMBL10450697 0.97 NAAA (0.35) NAAAASAH1

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