SCHEMBL8058833

SCHEMBL8058833

COC(=O)CC(=O)C(C)C(COCc1ccccc1)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
SLC1A1 P43005 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MME P08473 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
FOLH1 Q04609 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PPARA Q07869 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8071200 0.86 KMT2A (0.47) KMT2AHTTMMP9MMP14SLC1A1
SCHEMBL8059596 0.86 KMT2A (0.49) KMT2AHTTMMP9MMP14SLC1A1
SCHEMBL8064363 0.85 KMT2A (0.52) KMT2AHTTMMP9MMP14SLC1A1
SCHEMBL8058834 0.84 KMT2A (0.50) KMT2AHTTMMP9MMP14SLC1A1
SCHEMBL9364819 0.83 KMT2A (0.46) KMT2AHTTMMP9MMP14SLC1A1
SCHEMBL8058816 0.79 KMT2A (0.43) KMT2AHTTMMP9MMP14SLC1A1
SCHEMBL10594545 0.76 KMT2A (0.50) KMT2AHTTSLC1A1NPC1MAPT
SCHEMBL22113526 0.76 KMT2A (0.57) KMT2AHTTSLC1A1NPC1MAPT
SCHEMBL10590595 0.76 KMT2A (0.50) KMT2AHTTSLC1A1NPC1MAPT
SCHEMBL20233630 0.76 KMT2A (0.47) KMT2AHTTMMP9MMP14SLC1A1

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-1015412-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2000-07-05 EP disclosed
EP-1015420-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2000-07-05 EP disclosed
WO-1999012892-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed
WO-1999012885-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed