SCHEMBL7977052

SCHEMBL7977052

COC(CCCN(C)CCCC(OC)OC)OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CD O00329 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
SCHEMBL1770363 0.84 ALDH1A1 (0.43) CA12CA2CA3CA4CA6
SCHEMBL12847454 0.78
SCHEMBL29980335 0.78
SCHEMBL1426982 0.76
SCHEMBL6298010 0.76 SMPD1 (0.32)
SCHEMBL12790410 0.75 MEN1 (0.39) MEN1KMT2A
SCHEMBL9603281 0.75 ALDH1A1 (0.39)
SCHEMBL7934687 0.74 SMPD1 (0.36)
SCHEMBL5160133 0.74 SMPD1 (0.36)
SCHEMBL7934735 0.74 SMPD1 (0.36)

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
CN-113493542-B Conjugated diene polymer, process for producing the same, conjugated diene polymer composition, and rubber composition 旭化成株式会社 2023-09-22 CN disclosed
WO-2001005748-A1 OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS MONSANTO COMPANY (US) 2001-01-25 WO disclosed