SCHEMBL6693290

SCHEMBL6693290

CCCOc1ccc(CCC(=O)O)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
USP2 O75604 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
CASP7 P55210 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
FFAR4 Q5NUL3 7/20 0.49
FFAR1 O14842 5/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL3667217 0.87 LMNA (0.65) LMNAL3MBTL1MAPTFFAR4FFAR1
SCHEMBL8984884 0.85 LMNA (0.63) LMNAL3MBTL1FFAR4FFAR1PPARG
SCHEMBL3693650 0.83 LMNA (0.60) LMNAL3MBTL1KDM4EALDH1A1POLB
SCHEMBL7398838 0.82 GAA (0.59) LMNAL3MBTL1ALDH1A1GAAHTT
SCHEMBL9679355 0.80 RXRA (0.63) LMNAL3MBTL1FFAR4FFAR1PPARG
SCHEMBL3667760 0.79 LMNA (0.59) LMNAL3MBTL1FFAR4FFAR1PPARG
SCHEMBL11790621 0.79 MAPT (0.62) USP2KDM4EMEN1ALDH1A1TP53
SCHEMBL8984888 0.77 LMNA (0.52) LMNAL3MBTL1MEN1KMT2AFFAR4
SCHEMBL31254179 0.77 PTGDR2 (0.58) LMNAL3MBTL1FFAR4FFAR1S1PR1
SCHEMBL3443299 0.76 CYP1A2 (0.61) USP2KDM4EMEN1ALDH1A1TP53

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-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
EP-1004572-A2 Amines as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 US disclosed