SCHEMBL7060276

SCHEMBL7060276

NC1=C(C(=O)CCl)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10123519 0.72 TSHR (0.32) ALDH1A1MAPK1KDM4EMAPT
SCHEMBL4023693 0.72 TSHR (0.32) ALDH1A1MAPK1KDM4EMAPT
SCHEMBL14081363 0.70 KDM4E (0.38) ALDH1A1MAPK1KDM4EMAPT
SCHEMBL4548364 0.70 MAPK1 (0.32) NPC1MAPK1KDM4EMAPT
SCHEMBL8197869 0.70 KDM4E (0.38) ALDH1A1MAPK1KDM4EMAPT
SCHEMBL11114272 0.68 MAPK1 (0.31) MAPK1KDM4EMAPT
SCHEMBL18757668 0.67 — —
SCHEMBL2209103 0.67 — —
SCHEMBL11871305 0.66 TP53 (0.39) —
SCHEMBL1144592 0.65 ALDH1A1 (0.47) NPC1ALDH1A1MAPK1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101099460-A Method of microencapsulating an agricultural active having a high melting point and uses for such materials MONSANTO TECHNOLOGY LLC (US) 2008-01-09 — — CN disclosed
CN-100337541-C Method for microencapsulating agrochemical active substances having a high melting point and use of these substances MONSANTO TECHNOLOGY LLC (US) 2007-09-19 — — CN disclosed
CN-1501771-A Method for microencapsulating agrochemical active substances having a high melting point and use of these substances ������ɽ���� 2004-06-02 — — CN disclosed
EP-1377161-A1 MICROENCAPSULATING OF AN AGRICULTURAL ACTIVE HAVING A HIGH MELTING POINT Monsanto Technology LLC (US) 2004-01-07 — — EP disclosed
WO-2002082901-A1 MICROENCAPSULATING OF AN AGRICULTURAL ACTIVE HAVING A HIGH MELTING POINT MONSANTO TECHNOLOGY, LLC (US) 2002-10-24 — — WO disclosed
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