SCHEMBL9719223

SCHEMBL9719223

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 12/20 0.48
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9719220 0.93 TSHR (0.44) HCAR2TSHRLMNATDP1ALDH1A1
SCHEMBL9576238 0.84 HCAR2 (0.50) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL8459106 0.84 HCAR2 (0.56) HCAR2TSHRLMNATDP1ATM
SCHEMBL15794290 0.83 HCAR2 (0.56) HCAR2TSHRTDP1ALDH1A1GAA
SCHEMBL15794287 0.83 HCAR2 (0.56) HCAR2TSHRTDP1ALDH1A1GAA
SCHEMBL28350819 0.82 HCAR2 (0.47) HCAR2TSHRALDH1A1HPGDATM
SCHEMBL10396417 0.82 HCAR2 (0.47) HCAR2TSHRALDH1A1HPGDATM
SCHEMBL8461085 0.81 HCAR2 (0.59) HCAR2TSHRTDP1ATMCYP3A4
SCHEMBL11236562 0.81 HCAR2 (0.59) HCAR2TSHRTDP1ATMCYP3A4
SCHEMBL2021411 0.81 HCAR2 (0.59) HCAR2TSHRALDH1A1HPGDGAA

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-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 — — US disclosed
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