SCHEMBL6692772

SCHEMBL6692772

CCCOc1ccc(C(N)CC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
CYP2C19 P33261 1/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.52
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
SLC2A1 P11166 1/20 0.50
ACACB O00763 3/20 0.48
ACACA Q13085 1/20 0.48

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
SCHEMBL5720967 0.87 ALDH1A1 (0.51) MMP9MMP8MMP13SMN1; SMN2CYP2C19
SCHEMBL5720965 0.87 ALDH1A1 (0.51) MMP9MMP8MMP13SMN1; SMN2CYP2C19
SCHEMBL2224153 0.84 SMN1; SMN2 (0.58) MMP9MMP8MMP13SMN1; SMN2CYP2C19
SCHEMBL2947981 0.81 SMN1; SMN2 (0.74) MMP9MMP8MMP13SMN1; SMN2CYP2C19
SCHEMBL16223841 0.81 MAPT (0.55) MMP9MMP8MMP13SMN1; SMN2L3MBTL1
SCHEMBL5720986 0.81 MAPK1 (0.47) MMP9MMP8MMP13SMN1; SMN2LMNA
SCHEMBL2452463 0.80 CYP1A2 (0.56) CYP2C19L3MBTL1
SCHEMBL12732993 0.80 SLC2A1 (0.55) SMN1; SMN2L3MBTL1ALDH1A1SLC2A1ACACB
SCHEMBL7104579 0.80 CYP1A2 (0.56) CYP2C19L3MBTL1
SCHEMBL5720961 0.80 CYP1A2 (0.56) CYP2C19L3MBTL1

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 12 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 claimed
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP disclosed
EP-0706521-B1 IMIDES AS TNF ALPHA INHIBITORS CELGENE CORP (US) 2002-10-02 EP disclosed
US-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed
US-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US 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
EP-1004580-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
US-5877200-A Cyclic amides CELGENE CORPORATION (US) 1999-03-02 US disclosed
US-5698579-A INHIBITOR OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-16 US disclosed
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed