SCHEMBL7478331

SCHEMBL7478331

CC1CCCc2cc(C=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A3 P47895 4/20 0.35
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 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
SCHEMBL25367772 0.90 ALDH1A1 (0.41) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL22837261 0.82 ALDH1A1 (0.45) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL1472540 0.80 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL12932008 0.80 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL4337300 0.80 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL2560483 0.80 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL5516514 0.80 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL13950518 0.76 ALDH1A1 (0.40) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL13955352 0.76 ALDH1A1 (0.40) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL13955293 0.76 ALDH1A1 (0.40) ALDH1A1MEN1GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647643-B1 Bis(3,4-dialkylbenzylidene) sorbitol acetals and compositions containing same MILLIKEN RES CORP (US) 2002-03-13 EP disclosed
EP-0647643-A1 Bis(3,4-dialkylbenzylidene) sorbitol acetals and compositions containing same MILLIKEN RESEARCH CORPORATION (US) 1995-04-12 EP disclosed
US-5135975-A Plastic additives useful as nucleating agents for food or cosmetic containers or packaging MILLIKEN RESEARCH CORPORATION (US) 1992-08-04 US disclosed
US-5049605-A Nucleation, food or cosmetic packaging MILLIKEN RESEARCH CORPORATION (US) 1991-09-17 US disclosed
EP-0421634-A2 Use of bis(3,4-dialkylbenzylidene) sorbitol acetals and of compositions containing it MILLIKEN RESEARCH CORPORATION (US) 1991-04-10 EP disclosed