SCHEMBL29540667

SCHEMBL29540667

C=C(C)C(=O)OC(CCC)CC(CC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
CYP3A4 P08684 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
CA2 P00918 4/20 0.39
ALDH1A1 P00352 5/20 0.38
CTSK P43235 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.34
CA1 P00915 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
LMNA P02545 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
SCHEMBL8414633 0.93 TSHR (0.41) TSHRCYP3A4TDP1ATMCA2
SCHEMBL29362752 0.91 TSHR (0.44) TSHRCYP3A4TDP1ATMCA2
SCHEMBL11057143 0.90 TSHR (0.45) TSHRCYP3A4TDP1ATMCA2
SCHEMBL27697659 0.90 ALDH1A1 (0.44) TSHRCYP3A4TDP1ATMCA2
SCHEMBL7939123 0.84 CTSK (0.40) TSHRCYP3A4TDP1ATMCA2
SCHEMBL1692337 0.84 TSHR (0.46) TSHRCA2ALDH1A1CTSKCA1
SCHEMBL27962052 0.83 TSHR (0.42) TSHRCYP3A4TDP1ATMCA2
SCHEMBL2817125 0.83 TSHR (0.42) TSHRCYP3A4TDP1ATMCA2
SCHEMBL15753012 0.83 LPAR3 (0.44) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL13896953 0.82 ALDH1A1 (0.39) TSHRALDH1A1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521897-B Stable type marble adhesive curing agent and preparation method thereof 武汉市科达云石护理材料有限公司 2022-03-25 CN claimed
CN-112521897-B Stable type marble adhesive curing agent and preparation method thereof 武汉市科达云石护理材料有限公司 2022-03-25 CN disclosed
CN-112521897-B Stable type marble adhesive curing agent and preparation method thereof 武汉市科达云石护理材料有限公司 2022-03-25 CN disclosed