SCHEMBL30003172

SCHEMBL30003172

CC(C)C(=O)Oc1ccc(OC(=O)C(C)C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.50
▸ ELANE P08246 2/20 0.49
▸ TSHR P16473 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NCEH1 Q6PIU2 2/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41

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
SCHEMBL10714230 0.85 ALDH1A1 (0.60) TSHRRAB9AL3MBTL1MEN1KMT2A
SCHEMBL15547599 0.85 ALOX15 (0.55) ALOX15ELANETSHRADRB2ADRA2A
SCHEMBL16885794 0.84 LMNA (0.49) ALOX15ELANEPKMLMNAL3MBTL1
Hydrochloric Acid SCHEMBL27504502 0.83 ALDH1A1 (0.58) TSHRRAB9AADRB2LMNAL3MBTL1
SCHEMBL28694838 0.83 ALDH1A1 (0.50) RAB9ANCEH1L3MBTL1MEN1KMT2A
Bromide SCHEMBL16050020 0.83 ALOX15 (0.53) ALOX15ELANETSHRADRB2ADRA2A
SCHEMBL25695104 0.82 ALOX15 (0.38) ALOX15ELANETSHRPKMNPC1
SCHEMBL15447053 0.81 LMNA (0.45) ALOX15TSHRPKMNPC1RAB9A
SCHEMBL20398569 0.81 ELANE (0.50) ALOX15ELANETSHRNPC1LMNA
SCHEMBL5903593 0.81 NCEH1 (0.48) ALOX15ELANENPC1RAB9ANCEH1

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 — — CN disclosed
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