SCHEMBL28116853

SCHEMBL28116853

CCCC(C(=O)OCC(C)C)(C(=O)OCC(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MMP8 P22894 1/20 0.32
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRKCA P17252 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL28077403 0.89 TSHR (0.36) TSHRALDH1A1SMN1; SMN2LMNAMMP8
SCHEMBL27836869 0.87 MAPT (0.38) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL233748 0.85 TSHR (0.38) TSHRALDH1A1SMN1; SMN2PRKCA
SCHEMBL11607111 0.84 MEN1 (0.44) TSHRALDH1A1LMNAHSD17B10MMP8
SCHEMBL233539 0.80 TSHR (0.41) TSHRALDH1A1SMN1; SMN2MMP8RAB9A
SCHEMBL27836849 0.80 TSHR (0.41) TSHRALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL1784477 0.80 TSHR (0.41) TSHRALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL6892121 0.78 CYP4F2 (0.42) TSHRALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL19690593 0.77 TSHR (0.42) TSHRALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL28226518 0.77 TSHR (0.38) TSHRALDH1A1SMN1; SMN2LMNAHSD17B10

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
CN-103764690-B Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer 东邦钛株式会社 2016-12-14 CN disclosed