SCHEMBL27508290

SCHEMBL27508290

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS1 P23219 1/20 0.39
APEX1 P27695 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX4 Q99571 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL631747 0.87 TSHR (0.50) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL14342951 0.87 TSHR (0.39) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL30018016 0.83 TSHR (0.46) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL25435787 0.82 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL37351 0.82 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL17727760 0.81 TSHR (0.45) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL4675414 0.81 TSHR (0.40) TSHRALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL9998248 0.79 TSHR (0.52) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL2375362 0.79 TSHR (0.43) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL29707463 0.79 TSHR (0.44) TSHRALDH1A1TDP1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724640-B Thermosetting resin composition, prepreg using same and copper-clad laminate 广东生益科技股份有限公司 2022-09-16 CN claimed
CN-119842128-A Micro-crosslinking master batch, preparation method thereof, modified PERT and application thereof 天津中财型材有限责任公司 2025-04-18 CN disclosed
CN-1168371-A Organic peroxide stabilization with phosphomolybdic acid WITCO CORP (US) 1997-12-24 CN disclosed