SCHEMBL6693294

SCHEMBL6693294

CCCOc1ccccc1C(N)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.48
CYSLTR1 Q9Y271 2/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 2/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
NLRP1 Q9C000 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
PPARG P37231 3/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL12310209 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1KMT2AMEN1HIF1A
SCHEMBL3385975 0.83 POLB (0.55) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL31364568 0.83 POLB (0.55) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL5720914 0.83 POLB (0.55) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL12463681 0.83 POLB (0.55) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL27599721 0.78 L3MBTL1 (0.40) KMT2AHIF1AL3MBTL1GLAALDH1A1
SCHEMBL11072867 0.78 TNF (0.47) CYSLTR2CYSLTR1KMT2AMEN1HIF1A
SCHEMBL30670485 0.77 FABP4 (0.49) CYSLTR2CYSLTR1KMT2AMEN1HIF1A
SCHEMBL16796804 0.76 L3MBTL1 (0.40) KMT2AMEN1L3MBTL1HTTSMN1; SMN2
SCHEMBL5720854 0.75 POLB (0.44) KMT2AMEN1L3MBTL1ALDH1A1LMNA

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-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP disclosed
EP-1004572-A2 Amines as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004580-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004581-A2 Process for the preparation of thalidomide CELGENE CORPORATION (US) 2000-05-31 EP disclosed
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 US disclosed