SCHEMBL9688423

SCHEMBL9688423

O=C(Cl)c1ccc(C(=O)COCl)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.42
ALDH1A1 P00352 3/20 0.41
PTPN1 P18031 2/20 0.39
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37

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
SCHEMBL7290231 0.81 GSK3B (0.41) GSK3BALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL3041661 0.78 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1HPGDMEN1
SCHEMBL68148 0.75 ALDH1A1 (0.59) ALDH1A1MAPTHPGD
SCHEMBL20587670 0.75 ALDH1A1 (0.59) ALDH1A1MAPTHPGD
SCHEMBL14226875 0.75 ALDH1A1 (0.45) GSK3BALDH1A1PTPN1MAPTL3MBTL1
SCHEMBL5787064 0.75 GSK3B (0.67) GSK3BALDH1A1PTPN1MAPTHPGD
SCHEMBL10036561 0.74 PARP10 (0.46) ALDH1A1PTPN1MAPTHPGDMEN1
SCHEMBL12671969 0.74 RAB9A (0.53) ALDH1A1PTPN1MAPTL3MBTL1HPGD
Methylene Chloride SCHEMBL29223376 0.73 ALDH1A1 (0.52) GSK3BALDH1A1MAPTL3MBTL1HPGD
SCHEMBL19011895 0.73 GSK3B (0.61) GSK3BALDH1A1PTPN1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135619-A Solubilizing a hydrophobic organic substance with a ferrocene surfactant IDEMITSU KOSAN CO., INC. (JP) 1992-08-04 US disclosed
US-5015748-A Novel ferrocene derivatives, surfactants containing same and a process for producing organic thin films IDEMITSU KOSAN CO., LTD. (JP) 1991-05-14 US disclosed
EP-0362672-A2 Novel ferrocene derivatives, surfactants containing same and a process for producing organic thin films IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-04-11 EP disclosed