SCHEMBL27314005

SCHEMBL27314005

Oc1ccc(CCc2coc(-c3ccc(-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.54
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL27311684 0.85 DRD2 (0.47) FFAR1DRD2DRD4DRD3HSD17B1
SCHEMBL27682910 0.80 DRD2 (0.49) FFAR1DRD2DRD4DRD3PPARG
SCHEMBL14209113 0.78 LMNA (0.46) FFAR1DRD2DRD4DRD3HSD17B1
SCHEMBL5111304 0.78 FFAR1 (0.58) FFAR1DRD2DRD4DRD3PPARG
SCHEMBL5106193 0.77 DRD2 (0.51) FFAR1DRD2DRD4DRD3PPARG
SCHEMBL8017084 0.76 FFAR1 (0.50) FFAR1PPARGPPARAGAATSHR
SCHEMBL10455047 0.74 ESR1 (0.67) FFAR1MMP3BCL2L1ESR1ESR2
SCHEMBL7158031 0.73 ESR1 (0.44) HSD17B1HSD17B2ESR1ESR2
SCHEMBL3070107 0.73 PTPN11 (0.50) DRD2DRD4DRD3HSD17B1HSD17B2
SCHEMBL12844627 0.73 DRD2 (0.51) FFAR1DRD2DRD4DRD3ALDH1A1

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