SCHEMBL9529382

SCHEMBL9529382

CCCCCCCCCCCCCCCCc1cc(OCC(COC(=O)NCCCCCCOC(OCCOC)C(=O)OCC)Oc2ccon2)no1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
PTAFR P25105 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
SMPD1 P17405 1/20 0.33
BRD4 O60885 1/20 0.31

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
SCHEMBL9532309 0.77 GMNN (0.40) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9532304 0.77 GMNN (0.40) GMNNUSP2LMNAPTAFRMTOR
SCHEMBL9528943 0.77 CTSK (0.34) ALDH1A1SMPD1
SCHEMBL9798982 0.77 ALDH1A1 (0.41) ALDH1A1SMPD1
SCHEMBL9531977 0.77 ALDH1A1 (0.41) ALDH1A1SMPD1
SCHEMBL9798976 0.77 ALDH1A1 (0.41) ALDH1A1SMPD1
SCHEMBL9530037 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9532943 0.75 ALDH1A1 (0.40) ALDH1A1USP2LMNATSHR
SCHEMBL9529222 0.75 ALDH1A1 (0.38) ALDH1A1GMNNUSP2LMNAPTAFR
Bromide SCHEMBL9529680 0.75 ALDH1A1 (0.39) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238202-B1 GLYCEROL DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1993-04-28 EP disclosed
US-5068340-A Antagonist of platelet activating factor for treatment of asthma, inflammation or shock SANKYO COMPANY, LIMITED (JP) 1991-11-26 US disclosed