SCHEMBL7571673

SCHEMBL7571673

C=C(C)C(=O)OCCOC.C=CC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ HCAR2 Q8TDS4 2/20 0.44
▸ LMNA P02545 3/20 0.43
▸ CA12 O43570 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA6 P23280 2/20 0.40
▸ CA5A P35218 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ CA5B Q9Y2D0 2/20 0.40
▸ AKR1B10 O60218 2/20 0.40
▸ AKR1B1 P15121 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TGM2 P21980 1/20 0.39

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
SCHEMBL4170802 0.89 ALDH1A1 (0.53) THRBALDH1A1HCAR2LMNACA12
SCHEMBL30152200 0.89 THRB (0.56) THRBALDH1A1HCAR2LMNACA12
SCHEMBL1395905 0.88 ALDH1A1 (0.46) THRBALDH1A1HCAR2LMNACA12
SCHEMBL628109 0.87 ALDH1A1 (0.50) THRBALDH1A1HCAR2LMNACA12
SCHEMBL2582826 0.86 ALDH1A1 (0.44) THRBALDH1A1HCAR2LMNACA12
SCHEMBL28246245 0.85 ALDH1A1 (0.49) THRBALDH1A1HCAR2LMNACA12
SCHEMBL28311598 0.84 ALDH1A1 (0.47) THRBALDH1A1HCAR2LMNACA12
Methacrylic Acid SCHEMBL28171879 0.84 HCAR2 (0.50) THRBALDH1A1HCAR2LMNACA12
SCHEMBL9638004 0.84 TSHR (0.57) THRBALDH1A1HCAR2LMNATSHR
SCHEMBL28268541 0.84 TSHR (0.57) THRBALDH1A1HCAR2LMNATSHR

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
US-20020037984-A1 High refractive index hydrogel compositions for ophthalmic implants VANDERBILT DAVID P (US) 2002-03-28 — — US disclosed
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