SCHEMBL7125831

SCHEMBL7125831

CCC(C)(C)OOC(=O)OCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP8 P22894 1/20 0.31

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
SCHEMBL30877068 0.89 TSHR (0.35) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL8504672 0.87 MAPT (0.39)
SCHEMBL7059830 0.86 TSHR (0.35) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL8529870 0.85 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL8359103 0.84 TSHR (0.36) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL27338207 0.83 EGFR (0.32)
SCHEMBL8040190 0.82 TSHR (0.41) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL7124852 0.82 TDP1 (0.30) TDP1
SCHEMBL6865170 0.82 PRKCA (0.35) ALDH1A1LMNASMN1; SMN2
SCHEMBL6896348 0.81 TSHR (0.39) TSHRALDH1A1MEN1LMNACYP3A4

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
EP-0879224-B1 NOVEL POLY(MONOPEROXYCARBONATES) ATOFINA CHEM INC (US) 2003-10-22 EP disclosed