SCHEMBL6267530

SCHEMBL6267530

CO[SiH](OC)C(C)CCOC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 2/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ ADRB3 P13945 1/20 0.44
▸ PKM P14618 5/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ESR1 P03372 1/20 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
SCHEMBL3918077 0.85 CYP19A1 (0.43) LMNATDP1ALDH1A1TSHRADRB2
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL27387007 0.81 LMNA (0.61) LMNATDP1ALDH1A1TSHRADRB2
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL28250108 0.80 LMNA (0.65) LMNATDP1ALDH1A1TSHRADRB2
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL132524 0.80 LMNA (0.65) LMNATDP1ALDH1A1TSHRADRB2
SCHEMBL223683 0.80 LMNA (0.65) LMNATDP1ALDH1A1TSHRADRB2
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL5309105 0.80 LMNA (0.59) LMNATDP1ALDH1A1TSHRADRB2
SCHEMBL6269309 0.79 LMNA (0.55) LMNATDP1ALDH1A1TSHRPKM
SCHEMBL3919098 0.79 APP (0.49) ALDH1A1PKMKMT2AHSD17B10KDM4E
SCHEMBL11707339 0.79 LMNA (0.62) LMNATDP1ALDH1A1TSHRADRB2
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL27674770 0.79 LMNA (0.62) LMNATDP1ALDH1A1TSHRADRB2

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
WO-2005103061-A1 METHOD OF MANUFACTURING AN ORGANOALKOXYSILANE HAVING ESTER-FUNCTIONAL GROUPS DOW CORNING TORAY CO., LTD. (JP) 2005-11-03 — — WO disclosed
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