Sugi Predict

Sugi Predict / Compounds / SCHEMBL9529222

SCHEMBL9529222

SCHEMBL9529222

CCCCCCCCCCCCCCCc1cc(OCC(COC(=O)NCCCCCc2nccs2)Oc2cc(C)on2)no1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ PPARA Q07869 1/20 0.34
▸ 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

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
Bromide SCHEMBL9528346 0.99 ALDH1A1 (0.38) ALDH1A1PPARAGMNNUSP2LMNA
SCHEMBL9531977 0.88 ALDH1A1 (0.41) ALDH1A1PPARA
SCHEMBL9798982 0.88 ALDH1A1 (0.41) ALDH1A1PPARA
SCHEMBL9798976 0.88 ALDH1A1 (0.41) ALDH1A1PPARA
SCHEMBL9532943 0.86 ALDH1A1 (0.40) ALDH1A1PPARAUSP2LMNATSHR
Bromide SCHEMBL9529680 0.86 ALDH1A1 (0.39) ALDH1A1PPARA
SCHEMBL9529746 0.84 SMN1; SMN2 (0.42) LMNA
SCHEMBL9529646 0.83 ALDH1A1 (0.37) ALDH1A1PPARA
SCHEMBL9529484 0.82 SMPD1 (0.34) PPARA
SCHEMBL9799444 0.79 ALDH1A1 (0.41) 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 1 patent. 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 claimed