SCHEMBL8048343

SCHEMBL8048343

CCN(CCC(=O)OCCOC(C)=O)c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.44
▸ MAPT P10636 7/20 0.43
▸ LMNA P02545 5/20 0.43
▸ USP2 O75604 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PPARG P37231 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8038475 0.89 GFER (0.46) GFERMAPTLMNAUSP2ALDH1A1
SCHEMBL9349867 0.88 GFER (0.48) GFERMAPTLMNAUSP2ALDH1A1
SCHEMBL11506912 0.88 SMN1; SMN2 (0.50) GFERMAPTLMNAUSP2ALDH1A1
SCHEMBL8055680 0.88 GFER (0.44) GFERMAPTLMNAUSP2ALDH1A1
SCHEMBL9651167 0.86 MAPT (0.50) GFERMAPTLMNAUSP2ALDH1A1
SCHEMBL8048316 0.85 MAPT (0.47) GFERMAPTLMNAUSP2ALDH1A1
SCHEMBL9651151 0.85 MAPT (0.49) GFERMAPTLMNAUSP2ALDH1A1
SCHEMBL9648156 0.84 MAPT (0.48) GFERMAPTLMNAUSP2ALDH1A1
SCHEMBL9651305 0.84 MAPT (0.48) GFERMAPTLMNAUSP2ALDH1A1
SCHEMBL11596266 0.83 GFER (0.41) GFERMAPTLMNAUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876429-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF BASF AG (DE) 2000-05-03 — — EP disclosed
US-5998592-A Monoazo dyes containing a fluorosulphonyl group and use thereof BASF AKTIENGESELLSCHAFT (DE) 1999-12-07 — — US disclosed
EP-0876429-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 — — EP disclosed
WO-1997027247-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1997-07-31 — — WO disclosed
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