SCHEMBL5601491

SCHEMBL5601491

O=[C]OCC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MITF O75030 2/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
GFER P55789 1/20 0.48
PAX8 Q06710 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 4/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PTPN1 P18031 7/20 0.45
CYP1A1 P04798 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.41
PTPN2 P17706 1/20 0.40

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
SCHEMBL5601501 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MITFHTTRAB9A
SCHEMBL11630236 0.77 LMNA (0.55) ALDH1A1SMN1; SMN2MITFHTTRAB9A
SCHEMBL7580361 0.76 L3MBTL1 (0.59) ALDH1A1SMN1; SMN2MITFHTTRAB9A
SCHEMBL9903761 0.74 L3MBTL1 (0.57) ALDH1A1SMN1; SMN2MITFHTTRAB9A
SCHEMBL9837601 0.74 LMNA (0.53) ALDH1A1SMN1; SMN2MITFHTTRAB9A
SCHEMBL1683176 0.74 CA12 (0.42) SMN1; SMN2RAB9AL3MBTL1TDP1CYP3A4
SCHEMBL28257946 0.74 L3MBTL1 (0.52) ALDH1A1SMN1; SMN2MITFHTTRAB9A
SCHEMBL23457200 0.73 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2MITFHTTRAB9A
SCHEMBL8859212 0.73 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2MITFHTTRAB9A
SCHEMBL10833647 0.73 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2MITFHTTRAB9A

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-0946478-B1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2007-02-14 EP disclosed
EP-1674484-A2 Process for the solid phase synthesis of aldehydes, ketones, oximes, amines and hydroxamic acid componds Aventis Pharmaceuticals Products Inc. (US) 2006-06-28 EP disclosed
EP-0946478-A4 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARM PROD INC (US) 2004-09-08 EP disclosed
EP-0946478-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-10-06 EP disclosed
WO-1998029376-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-09 WO disclosed