SCHEMBL7680041

SCHEMBL7680041

CCCCc1cccc2c1CN(C(CC(N)=O)C(=O)O)C2=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TLR8 Q9NR97 1/20 0.36
STAT3 P40763 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SDCBP O00560 2/20 0.34
SDC2 P34741 2/20 0.34
TNF P01375 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.33
BID P55957 2/20 0.33
BCL2L1 Q07817 2/20 0.33
MCL1 Q07820 2/20 0.33
BAK1 Q16611 2/20 0.33

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
SCHEMBL7676710 0.93 ALOX15 (0.41) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7679533 0.91 ALOX15 (0.41) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7679480 0.90 ALOX15 (0.43) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7677820 0.89 ALOX15 (0.43) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7676753 0.87 MEN1 (0.38) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7676549 0.85 KDM4E (0.46) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7679921 0.84 ALOX15 (0.43) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7671030 0.83 KDM4E (0.39) ALOX15KDM4EALDH1A1BIDBCL2L1
SCHEMBL7675268 0.83 ALOX15 (0.44) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7680330 0.82 MAPT (0.44) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1

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 3 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
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