SCHEMBL30206724

SCHEMBL30206724

CC(C)C(=O)Oc1ccc(CO)cc1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.48
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ ADRB2 P07550 2/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ CFD P00746 1/20 0.37
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ FGFR1 P11362 2/20 0.35
▸ EGFR P00533 1/20 0.34

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
SCHEMBL19655515 1.00 ALOX15 (0.48) ALOX15CHRM2CHRM1ADRB2ADRA2A
SCHEMBL22733403 0.85 CFD (0.52) CHRM2CHRM1CFDCYP4F2CYP4A11
SCHEMBL30206648 0.82 CFD (0.55) ALOX15CHRM2CHRM1ADRB2ADRA2A
SCHEMBL19640086 0.82 CFD (0.55) ALOX15CHRM2CHRM1ADRB2ADRA2A
SCHEMBL30394978 0.82 MTNR1A (0.46) CYP4F2CYP4A11MTNR1AMTNR1BCA12
SCHEMBL19655516 0.80 ALDH1A1 (0.41) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL30206796 0.80 ALDH1A1 (0.41) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL31588004 0.76 EGFR (0.51) EGFRCA12CA2CA3CA6
SCHEMBL22032195 0.75 EGFR (0.39) ADRB2ADRA1ACYP4F2CYP4A11MTNR1A
SCHEMBL31588092 0.73 HTT (0.38) CYP4F2CYP4A11MTNR1AMTNR1BSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415353-B Pegylated carfilzomib compounds 美国安进公司 2023-01-10 — — CN disclosed
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