SCHEMBL8807908

SCHEMBL8807908

CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CASP3 P42574 1/20 0.38
IDO1 P14902 1/20 0.37
ELANE P08246 1/20 0.37
TNF P01375 1/20 0.36

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
SCHEMBL29855110 0.87 FABP5 (0.44) KMT2AFABP5FABP7EPHX2ALDH1A1
SCHEMBL25173108 0.87 FABP5 (0.44) KMT2AFABP5FABP7EPHX2ALDH1A1
SCHEMBL8804802 0.87 FABP5 (0.44) KMT2AFABP5FABP7EPHX2ALDH1A1
SCHEMBL13335430 0.84 KMT2A (0.42) KMT2AFABP5FABP7EPHX2POLB
SCHEMBL23517944 0.83 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL15083099 0.81 PPARG (0.43) KMT2AFABP5FABP7EPHX2ALDH1A1
SCHEMBL30744235 0.81 PPARG (0.43) KMT2AFABP5FABP7EPHX2ALDH1A1
SCHEMBL29540316 0.81 PPARG (0.43) KMT2AFABP5FABP7EPHX2ALDH1A1
SCHEMBL16288980 0.81 PPARG (0.43) KMT2AFABP5FABP7EPHX2ALDH1A1
SCHEMBL31000561 0.81 KMT2A (0.38) KMT2AFABP5FABP7EPHX2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537269-B1 IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMA (US) 1997-10-15 EP disclosed
US-5665774-A TREATMENT OF AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS INCORPORATED 1997-09-09 US disclosed
US-5516797-A SUPPRESSING GRAFT REJECTION VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-05-14 US disclosed
US-5330993-A Immunosuppressive compounds VERTEX PHARMACEUTICALS, INC. (US) 1994-07-19 US disclosed
EP-0537269-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS. VERTEX PHARMA (US) 1993-04-21 EP disclosed
US-5192773-A Isomerase inhibitor VERTEX PHARMACEUTICALS, INC. (US) 1993-03-09 US disclosed