Desaspidin

Desaspidin

SCHEMBL28086151

CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(OC)cc(O)c(C(=O)CCC)c2O)C1=O.Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 6/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ ALOX15 P16050 3/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSPD1 P10809 1/20 0.34
▸ HSPA5 P11021 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ HTT P42858 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
Desaspidin SCHEMBL29613713 0.90 FASN (0.51) FASNMEN1KMT2APAK1MAPT
Desaspidin SCHEMBL2732746 0.90 FASN (0.51) FASNMEN1KMT2APAK1MAPT
SCHEMBL29387296 0.80 FASN (0.59) FASNMEN1KMT2APAK1
SCHEMBL30212080 0.77 FASN (0.66) FASNMEN1KMT2APAK1MAPT
SCHEMBL30212085 0.77 FASN (0.66) FASNMEN1KMT2APAK1CYP19A1
SCHEMBL8573383 0.75 FASN (0.51) FASNMEN1KMT2APAK1MAPT
SCHEMBL4742082 0.74 FASN (0.63) FASN
SCHEMBL155672 0.72 FASN (0.48) FASN
SCHEMBL1785484 0.70 FASN (0.60) FASN
SCHEMBL4962391 0.69 FASN (0.64) FASNALOX15HPGDALOX12SMN1; SMN2

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-103492389-B Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases 原真股份有限公司 2016-09-14 — — CN disclosed
Send feedback