SCHEMBL6270837

SCHEMBL6270837

CCCCc1cccc2c1C(=O)N(C(CCCC(=O)O)C(=O)O)C2=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
NFKB1 P19838 1/20 0.53
APEX1 P27695 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYSLTR2 Q9NS75 8/20 0.45
CYSLTR1 Q9Y271 8/20 0.45
GAA P10253 2/20 0.42
OXER1 Q8TDS5 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL6271191 0.94 ALDH1A1 (0.54) POLBALDH1A1KDM4ETP53GLA
SCHEMBL6270550 0.91 ALDH1A1 (0.58) POLBALDH1A1KDM4ETP53GLA
SCHEMBL6257297 0.88 KMT2A (0.52) POLBALDH1A1KDM4ETP53GLA
SCHEMBL6258971 0.87 POLB (0.44) POLBALDH1A1KDM4ETP53GLA
SCHEMBL6260150 0.86 ALDH1A1 (0.49) POLBALDH1A1KDM4ETP53GLA
SCHEMBL6260775 0.83 ALDH1A1 (0.40) POLBALDH1A1KDM4ETP53GLA
SCHEMBL6271033 0.82 ALDH1A1 (0.59) POLBALDH1A1KDM4ETP53GLA
SCHEMBL6267987 0.81 ALDH1A1 (0.58) POLBALDH1A1KDM4ETP53GLA
SCHEMBL6271142 0.81 ALDH1A1 (0.60) POLBALDH1A1KDM4ETP53GLA
SCHEMBL6259531 0.81 KMT2A (0.54) POLBALDH1A1KDM4ETP53GLA

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
EP-1163219-B1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORP (US) 2005-10-12 EP disclosed
US-6380239-B1 FOR THERAPY OF ARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, REPERFUSION INJURY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE COLITIS, SYSTEMIC LUPUS ERYTHREMATOSIS, SCLERODERMA, APHTHOUS ULCERS, ASTHMA CELGENE CORPORATION 2002-04-30 US disclosed
EP-1163219-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2001-12-19 EP disclosed
WO-2000055134-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2000-09-21 WO disclosed