SCHEMBL27323764

SCHEMBL27323764

CP(C)(=O)OCc1coc(-c2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
PPARA Q07869 4/20 0.47
PPARG P37231 3/20 0.47
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
LMNA P02545 1/20 0.44
KLK1 P06870 1/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6593764 0.75 DRD2 (0.54) FFAR1HDAC1HDAC8HDAC6PPARA
SCHEMBL27682910 0.73 DRD2 (0.49) FFAR1HDAC1HDAC8HDAC6PPARA
SCHEMBL4033223 0.72 FFAR1 (0.47) FFAR1HDAC1HDAC8HDAC6PPARA
SCHEMBL4034904 0.72 DRD2 (0.54) FFAR1HDAC1HDAC8HDAC6PPARA
SCHEMBL12432902 0.72 DRD2 (0.54) FFAR1HDAC1HDAC8HDAC6PPARA
SCHEMBL16156078 0.71 FFAR1 (0.46) FFAR1PPARAPPARGHDAC4HDAC7
SCHEMBL4415483 0.71 LMNA (0.58) FFAR1HDAC1HDAC8HDAC6DRD2
SCHEMBL27314005 0.70 FFAR1 (0.54) FFAR1HDAC1HDAC8HDAC6PPARA
SCHEMBL4848917 0.70 FFAR1 (0.48) FFAR1HDAC1HDAC8HDAC6PPARA
Hydrochloric Acid SCHEMBL1374005 0.70 LMNA (0.57) FFAR1HDAC1HDAC8HDAC6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1028173-C Process for preparing oxazole derivatives BRISTOL MYERS SQUIBB CO (US) 1995-04-12 CN disclosed
CN-1101043-A Process for preparing oxazole derivatives BRISTOL MYERS SQUIBB CO (US) 1995-04-05 CN disclosed
CN-1101042-A Process for preparing oxazole derivatives BRISTOL MYERS SQUIBB CO (US) 1995-04-05 CN disclosed
CN-1101041-A Process for preparing oxazole derivatives BRISTOL MYERS SQUIBB CO (US) 1995-04-05 CN disclosed
CN-1052667-A OXAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 1991-07-03 CN disclosed