SCHEMBL29910366

SCHEMBL29910366

O=C1OC(=O)c2c1cccc2C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.44
PTGS2 P35354 1/20 0.41
PTPN1 P18031 2/20 0.39
PTPRC P08575 1/20 0.39
PTPRF P10586 1/20 0.39
CDC25B P30305 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN5 P54829 3/20 0.39
PTPN2 P17706 1/20 0.39
TYMS P04818 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL29187169 1.00 CEL (0.44) CELPTGS2PTPN1PTPRCPTPRF
SCHEMBL21932874 0.98 CEL (0.42) CELPTGS2PTPN1PTPRCPTPRF
SCHEMBL30574287 0.76 CDC25B (0.46) CELPTGS2PTPN1PTPRCPTPRF
SCHEMBL28870682 0.76 CDC25B (0.46) CELPTGS2PTPN1PTPRCPTPRF
SCHEMBL5162231 0.76 PTPN1 (0.50) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL1532193 0.76 PTGS2 (0.46) CELPTGS2PTPN1PTPRCPTPRF
SCHEMBL2653820 0.75 KDM4E (0.42) CELPTGS2PTPN1PTPRCPTPRF
SCHEMBL27519581 0.74 PTPN1 (0.49) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL10788436 0.74 PTGS2 (0.44) CELPTGS2PTPN1PTPRCPTPRF
SCHEMBL2809219 0.73 CREBBP (0.45) ALOX15TDP1TYMS

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-118975570-A Low-decomposability foramsulfuron suspension composition and preparation method and application thereof 侨昌现代农业有限公司 2024-11-19 CN disclosed
CN-118749515-A Low-decomposability binary weeding suspension composition and preparation method and application thereof 侨昌现代农业有限公司 2024-10-11 CN disclosed
CN-113773550-B Nano composite nucleating agent for thermoplastic plastics, preparation method and application of nano composite nucleating agent in polypropylene 中国科学院化学研究所 2022-10-11 CN disclosed