SCHEMBL5701006

SCHEMBL5701006

COC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 8/20 0.61
ITGB1 P05556 7/20 0.61
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LPAR1 Q92633 1/20 0.50
P2RX7 Q99572 1/20 0.48
GFER P55789 1/20 0.48
DDX3X O00571 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
SCHEMBL4683165 0.90 ITGA4 (0.67) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL6037562 0.90 ITGA4 (0.56) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL5152208 0.88 ITGA4 (0.55) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL14222078 0.87 MEN1 (0.59) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL4675624 0.87 MEN1 (0.59) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL4674769 0.86 MEN1 (0.57) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL14500970 0.85 MEN1 (0.56) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL5151777 0.85 ITGA4 (0.50) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL5150127 0.85 ITGB1 (0.49) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL5274777 0.84 MEN1 (0.55) ITGA4ITGB1MEN1KMT2AGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
EP-1042279-B1 SUBSTITUTED BETA-ALANINES AVENTIS PHARMA LTD (GB) 2005-03-02 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
US-6352977-B1 ALANINE WITH PRODRUGS AVENTIS PHARMA LIMITED (GB) 2002-03-05 US disclosed
EP-1042279-A1 SUBSTITUTED BETA-ALANINES Aventis Pharma Limited (GB) 2000-10-11 EP disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999033789-A1 SUBSTITUTED β-ALANINES AVENTIS PHARMA LIMITED (GB) 1999-07-08 WO disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed