SCHEMBL30496592

SCHEMBL30496592

CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)C[C@@]2(C)[C@@H]13

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ MITF O75030 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ POLB P06746 2/20 0.51
▸ PTPN1 P18031 1/20 0.35
▸ FGF1 P05230 1/20 0.33
▸ FGF2 P09038 1/20 0.33
▸ VEGFA P15692 1/20 0.33
▸ HPSE Q9Y251 1/20 0.33
▸ TYR P14679 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ RECQL P46063 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
SCHEMBL30496607 0.96 LMNA (0.56) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL30496583 0.96 LMNA (0.49) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL30496599 0.92 LMNA (0.52) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL30496584 0.77 LMNA (0.74) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL29709820 0.70 LMNA (0.84) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL29709864 0.70 LMNA (1.00) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL29709886 0.68 LMNA (1.00) LMNAHTTSMN1; SMN2NPC1MITF
Nagilactone SCHEMBL30496600 0.64 LMNA (0.63) LMNAHTTSMN1; SMN2NPC1MITF
Nagilactone C SCHEMBL29709870 0.64 LMNA (0.63) LMNAHTTSMN1; SMN2NPC1MITF
Nagilactone SCHEMBL29709880 0.64 LMNA (0.63) LMNAHTTSMN1; SMN2NPC1MITF

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
CN-107405330-B Bamboo Bai ester compound with hypolipidemic activity, and preparation method and application thereof 中国科学院上海药物研究所 2023-08-01 — — CN disclosed
Send feedback