Sugi Predict

Sugi Predict / Compounds / SCHEMBL21028836

SCHEMBL21028836

SCHEMBL21028836

CCCCc1cc(C(=O)OCC2CC/C=C\CCC2)c2ccc3c(CCCC)cc(-c4ccc(CCCCCCCCCCCc5ccc(-c6cc(CCCC)c7ccc8c(C(=O)OCC9CC/C=C\CCC9)cc(CCCC)c9ccc6c7c98)cc5)cc4)c4ccc1c2c34

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 11/20 0.35
▸ CHRNA3 P32297 11/20 0.35
▸ CHRNB2 P17787 9/20 0.35
▸ CHRNA4 P43681 9/20 0.35
▸ RARB P10826 2/20 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
SCHEMBL21028839 0.76 RARB (0.50) RARB
SCHEMBL21028835 0.68 RARB (0.38) RARB
SCHEMBL17737174 0.67 CHRNB2 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4RARB
SCHEMBL17577132 0.65 THRB (0.44) RARB
SCHEMBL17577169 0.65 TSHR (0.42) RARB
SCHEMBL17577140 0.65 THRB (0.44) RARB
SCHEMBL21029192 0.64 KDM4E (0.40) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL13498620 0.64 RARB (0.57) CHRNB4CHRNA3CHRNB2CHRNA4RARB
SCHEMBL11848093 0.64 THRA (0.53) RARB
SCHEMBL17578319 0.64 THRB (0.43) RARB

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
US-20210230381-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2021-07-29 — — US disclosed
US-11028240-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2021-06-08 — — US disclosed
US-10301443-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2019-05-28 — — US disclosed