SCHEMBL9312276

SCHEMBL9312276

O=Cc1ccc(OCC2Cc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 2/20 0.41
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
CYP2A6 P11509 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL9312842 0.79 HPGD (0.61) HPGD
SCHEMBL9311363 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9ALMNAMAPT
SCHEMBL22727838 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL9312614 0.76 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL9312922 0.76 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9ALMNAMAPT
SCHEMBL22727837 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2LMNACYP2A6
SCHEMBL22727836 0.73 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL8314306 0.71 PARP15 (0.54) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL3718600 0.71 PARP15 (0.54) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL8312964 0.71 PARP15 (0.54) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT

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
US-5330999-A Diabetes, obesity ADIR ET COMPAGNIE (FR) 1994-07-19 US disclosed
US-5296605-A 2,4-thiazolidinedione compounds ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5266582-A Antidiabetic agents ADIR ET COMPAGNIE (FR) 1993-11-30 US disclosed
EP-0528734-A1 Thiazolidin-2,4-dione derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-24 EP disclosed