SCHEMBL31443210

SCHEMBL31443210

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 5/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.35
MAPT P10636 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7781883 0.93 TDP1 (0.46) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16488808 0.93 TDP1 (0.46) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL31443216 0.90 TSHR (0.46) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL31443214 0.87 TSHR (0.51) TDP1TSHRALDH1A1CA1CA2
Methyl 2-Methylbutanoate SCHEMBL31443209 0.86 TDP1 (0.40) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL15314124 0.83
SCHEMBL18125220 0.83
SCHEMBL184608 0.83
SCHEMBL12913888 0.82 TSHR (0.51) TDP1TSHRCA1CA2CYP3A4
Ammonia Solution, Strong SCHEMBL27745313 0.81 CA1 (0.47) TDP1TSHRMEN1KMT2ASMN1; SMN2

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