SCHEMBL7680451

SCHEMBL7680451

CCc1cccc2c1CN(C(CC(=O)O)C(=O)O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.44
STAT3 P40763 1/20 0.40
SDCBP O00560 4/20 0.38
SDC2 P34741 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL7679921 0.91 ALOX15 (0.43) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7678935 0.90 MEN1 (0.43) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7679480 0.90 ALOX15 (0.43) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7679533 0.89 ALOX15 (0.41) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7679593 0.88 KDM4E (0.51) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7677127 0.86 MAPT (0.46) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7676186 0.84 ALOX15 (0.44) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7677588 0.83 ALOX15 (0.46) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7675322 0.83 ALOX15 (0.46) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7679838 0.82 MAPT (0.43) ALOX15MAPTSMN1; SMN2MEN1KMT2A

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
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
CN-1342146-A Substituted 1-oxo-and 1, 3-dioxoisoindolines and their use in pharmaceutical compositions for reducing inflammatory cytokine levels CELGENE CORP (US) 2002-03-27 CN 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