SCHEMBL30016723

SCHEMBL30016723

O=C(CCCC[C@@H]1CCSS1)OC(CO)COC(=O)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TARDBP Q13148 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13377562 0.79 HSD17B10 (0.59) HSD17B10KMT2ATARDBPLMNATDP1
SCHEMBL30016159 0.79 HSD17B10 (0.59) HSD17B10KMT2ATARDBPLMNATDP1
SCHEMBL13045071 0.77 HSD17B10 (0.56) HSD17B10KMT2ATARDBPLMNATDP1
SCHEMBL16577221 0.76 CNR2 (0.36) HSD17B10TDP1NR1I2ALDH1A1TSHR
SCHEMBL9738154 0.76 HSD17B10 (0.55) HSD17B10KMT2ATARDBPLMNATDP1
SCHEMBL15928889 0.74 PTGS2 (0.43) HSD17B10KMT2ATARDBPLMNATDP1
SCHEMBL13558616 0.74 HSD17B10 (0.52) HSD17B10KMT2ATARDBPLMNATDP1
SCHEMBL13045148 0.74 HSD17B10 (0.52) HSD17B10KMT2ATARDBPLMNATDP1
SCHEMBL18265362 0.74 HSD17B10 (0.52) HSD17B10KMT2ATARDBPLMNATDP1
SCHEMBL30016645 0.74 MAOB (0.46) HSD17B10LMNACYP2C9ALDH1A1TSHR

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
WO-2022260401-A1 NOVEL GLYCERIDE COMPOUND, AND METHOD FOR PREPARING SAME 명지대학교 산학협력단 2022-12-15 — — WO disclosed
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