SCHEMBL31443216

SCHEMBL31443216

C=CCOC(=O)C(C)CCCC.CCCCC(C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.36
SLC15A1 P46059 1/20 0.36
HDAC2 Q92769 1/20 0.35
CTSK P43235 1/20 0.34
BIRC2 Q13490 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL31443214 0.94 TSHR (0.51) TSHRCA1CA2ZDHHC7TDP1
SCHEMBL12913888 0.93 TSHR (0.51) TSHRCA1CA2TDP1HPGD
SCHEMBL31443210 0.90 TDP1 (0.41) TSHRCA1CA2ZDHHC7TDP1
SCHEMBL4957257 0.88 TSHR (0.54) TSHRCA1ZDHHC7TDP1ABCB1
SCHEMBL7165375 0.87 TSHR (0.57) TSHRCA1ZDHHC7TDP1ABCB1
SCHEMBL28840191 0.87 TSHR (0.57) TSHRCA1ZDHHC7TDP1ABCB1
SCHEMBL8650440 0.87 TSHR (0.57) TSHRCA1ZDHHC7TDP1ABCB1
SCHEMBL2779851 0.84 CA1 (0.61) TSHRCA1CA2ZDHHC7TDP1
SCHEMBL7947656 0.84 CA1 (0.61) TSHRCA1CA2ZDHHC7TDP1
SCHEMBL11298047 0.84 CA1 (0.61) TSHRCA1CA2ZDHHC7TDP1

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-119591771-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2025-03-11 CN claimed