SCHEMBL18034494

SCHEMBL18034494

CC(C)c1oc(=O)cc2c1[C@@H](O)C1OC(=O)[C@@]3(C)CCC[C@@]2(C)C13

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.74
▸ HTT P42858 2/20 0.74
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ POLB P06746 1/20 0.74
▸ NPC1 O15118 1/20 0.67
▸ MITF O75030 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ NFKB2 Q00653 1/20 0.67
▸ RELA Q04206 1/20 0.67
▸ SOD1 P00441 1/20 0.36
▸ JUN P05412 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
SCHEMBL18034509 0.87 LMNA (0.74) LMNAHTTSMN1; SMN2POLBNPC1
SCHEMBL30496584 0.87 LMNA (0.74) LMNAHTTSMN1; SMN2POLBNPC1
SCHEMBL18034515 0.85 LMNA (0.84) LMNAHTTSMN1; SMN2POLBNPC1
SCHEMBL18034516 0.85 LMNA (1.00) LMNAHTTSMN1; SMN2POLBNPC1
SCHEMBL18034638 0.85 LMNA (0.84) LMNAHTTSMN1; SMN2POLBNPC1
SCHEMBL29709886 0.85 LMNA (1.00) LMNAHTTSMN1; SMN2POLBNPC1
SCHEMBL18034498 0.81 LMNA (0.65) LMNAHTTSMN1; SMN2POLBNPC1
SCHEMBL18290307 0.81 LMNA (1.00) LMNAHTTSMN1; SMN2POLBNPC1
SCHEMBL29709864 0.81 LMNA (1.00) LMNAHTTSMN1; SMN2POLBNPC1
SCHEMBL29709820 0.81 LMNA (0.84) LMNAHTTSMN1; SMN2POLBNPC1

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
WO-2016131426-A1 NAGILACTONE COMPOUNDS HAVING ANTILIPEMIC ACTIVITY, PREPARATION METHOD THEREFOR AND USES THEREOF 中国科学院上海药物研究所 2016-08-25 — — WO disclosed
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