SCHEMBL9576238

SCHEMBL9576238

CC(C)CC(O)COC(=O)C=CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 11/20 0.50
▸ TSHR P16473 1/20 0.40
▸ LAP3 P28838 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL9576235 0.93 TSHR (0.45) HCAR2TSHRLAP3ALDH1A1HPGD
SCHEMBL15794287 0.85 HCAR2 (0.56) HCAR2TSHRALDH1A1MAPTGAA
SCHEMBL15794290 0.85 HCAR2 (0.56) HCAR2TSHRALDH1A1MAPTGAA
SCHEMBL9719223 0.84 HCAR2 (0.48) HCAR2TSHRALDH1A1HPGDUSP2
SCHEMBL11748250 0.84 HCAR2 (0.52) HCAR2TSHRLAP3ALDH1A1HPGD
SCHEMBL2021411 0.83 HCAR2 (0.59) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL809870 0.83 HCAR2 (0.59) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL809869 0.83 HCAR2 (0.59) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL8459108 0.81 HCAR2 (0.59) HCAR2TSHRATM
SCHEMBL9249489 0.81 HCAR2 (0.59) HCAR2TSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219884-B1 HARD CONTACT LENS MATERIAL Tomei Sangyo Kabushiki Kaisha (JP) 1993-09-29 — — EP disclosed
US-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 — — US disclosed
US-4868260-A OXYGEN PERMEABILITY TOMEI SANGYO KABUSHIKI KAISHA (JP) 1989-09-19 — — US disclosed
EP-0219884-A2 Hard contact lens material Tomei Sangyo Kabushiki Kaisha (JP) 1987-04-29 — — EP disclosed
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