SCHEMBL9719220

SCHEMBL9719220

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ HCAR2 Q8TDS4 5/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9719223 0.93 HCAR2 (0.48) TSHRHCAR2TDP1LMNAATM
SCHEMBL29054539 0.85 TSHR (0.66) TSHRTDP1ALDH1A1HPGDUSP2
SCHEMBL9576303 0.82 ATM (0.47) TSHRHCAR2TDP1LMNAATM
SCHEMBL8327241 0.82 ATM (0.47) TSHRHCAR2TDP1LMNAATM
SCHEMBL9576235 0.82 TSHR (0.45) TSHRHCAR2ATMALDH1A1HPGD
SCHEMBL31552895 0.78 TSHR (0.42) TSHRHCAR2TDP1LMNAATM
SCHEMBL8461082 0.78 ATM (0.53) TSHRHCAR2TDP1LMNAATM
SCHEMBL9576359 0.78 ATM (0.53) TSHRHCAR2TDP1LMNAATM
SCHEMBL317107 0.78 TSHR (0.67) TSHRHCAR2ATMALDH1A1HPGD
SCHEMBL429885 0.78 TSHR (0.67) TSHRHCAR2ATMALDH1A1HPGD

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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