SCHEMBL30600798

SCHEMBL30600798

CCOC(OCC)C(=O)OC(=O)C(OCC)OCC.[Na]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.43
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TRPA1 O75762 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL22207048 0.97 SOAT1 (0.46) SOAT1ALDH1A1LMNAHSD17B10THRB
SCHEMBL4405369 0.84 SOAT1 (0.40) SOAT1ALDH1A1LMNAHSD17B10THRB
SCHEMBL143815 0.80 ALDH1A1 (0.50) SOAT1ALDH1A1LMNAHSD17B10THRB
SCHEMBL7930920 0.79 ALDH1A1 (0.42) SOAT1ALDH1A1LMNATDP1TSHR
SCHEMBL6437698 0.78 MGAM (0.43) SOAT1ALDH1A1LMNAHSD17B10THRB
SCHEMBL11217411 0.78 ALDH1A1 (0.48) SOAT1ALDH1A1LMNAHSD17B10THRB
SCHEMBL2948696 0.76 ALDH1A1 (0.39) SOAT1ALDH1A1LMNAHSD17B10THRB
SCHEMBL3298069 0.76 ALDH1A1 (0.39) SOAT1ALDH1A1LMNAHSD17B10THRB
SCHEMBL28762237 0.76 ALDH1A1 (0.39) SOAT1ALDH1A1LMNAHSD17B10THRB
SCHEMBL6437690 0.76 ALDH1A1 (0.39) SOAT1ALDH1A1LMNAHSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024411-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed