SCHEMBL30002595

SCHEMBL30002595

CC(C)COC(=O)C(C)I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX4 Q99571 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL4252389 0.84 TSHR (0.48) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL30002313 0.82 MAPT (0.44) TSHRTDP1MAPTMAPK1HSD17B10
SCHEMBL18175287 0.82 TSHR (0.46) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL21811683 0.78 TSHR (0.43) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL41548 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL30145011 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL3137072 0.78 TSHR (0.33) TSHRALDH1A1
SCHEMBL21811768 0.78 TSHR (0.31) TSHRALDH1A1
SCHEMBL2275427 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL10154356 0.77 TSHR (0.46) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1

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
WO-2022254874-A1 WATER-ABSORBENT RESIN COMPOSITION, ABSORBER AND ABSORBENT ARTICLE EMPLOYING SAME, AND METHOD FOR MANUFACTURING WATER-ABSORBENT RESIN COMPOSITION SDPグローバル株式会社 2022-12-08 WO disclosed
WO-2022255329-A1 WATER-ABSORBING RESIN COMPOSITION, AND ABSORBENT OBJECT AND ABSORBENT ARTICLE BOTH OBTAINED USING SAME SDPグローバル株式会社 2022-12-08 WO disclosed