SCHEMBL22238311

SCHEMBL22238311

CC(C)CC(C(=O)OCC(C)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 2/20 0.36
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RNPEP Q9H4A4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SLC7A5 Q01650 1/20 0.31
▸ MMP2 P08253 4/20 0.31
▸ MMP1 P03956 3/20 0.31
▸ MMP9 P14780 3/20 0.31
▸ MMP8 P22894 3/20 0.31
▸ MMP3 P08254 2/20 0.31
▸ MMP7 P09237 2/20 0.31
▸ MMP20 O60882 1/20 0.31
▸ ADAMTS4 O75173 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ MMP10 P09238 1/20 0.31
▸ MMP12 P39900 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
SCHEMBL12015497 0.87 TSHR (0.43) MAPTTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL18560732 0.80 SLC1A3 (0.35) TSHRSLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL17852291 0.80 SLC1A3 (0.35) TSHRSLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL12267730 0.80 MME (0.33) TSHRSLC1A3SLC1A2SLC1A1MMP2
SCHEMBL24571172 0.79 TSHR (0.56) MAPTTSHRMAPK1HSD17B10
SCHEMBL20221807 0.78 ALDH1A1 (0.40) TSHRSLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL15443271 0.78 ALDH1A1 (0.40) TSHRSLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL1786531 0.78 TSHR (0.46) MAPTTSHRMAPK1RNPEPHSD17B10
SCHEMBL12267706 0.76 TSHR (0.33) TSHRMMP2MMP1MMP3TNF
SCHEMBL12868880 0.76 SMN1; SMN2 (0.44) SLC1A3SLC1A2SLC1A1RNPEPADAM17

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
EP-2955576-B1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2020-07-22 — — EP disclosed
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