SCHEMBL27176003

SCHEMBL27176003

Cc1cc(C=C(O)C(O)C(O)C(O)C(O)C(O)=Cc2ccc(F)c(C)c2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ PTGS1 P23219 4/20 0.34
▸ PTGS2 P35354 4/20 0.34
▸ ALOX5 P09917 3/20 0.34
▸ NFE2L2 Q16236 1/20 0.33
▸ TRPA1 O75762 2/20 0.32
▸ TUBB1 Q9H4B7 2/20 0.31
▸ JUN P05412 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
SCHEMBL5231765 1.00 GABRA1 (0.46) GABRA1SIGMAR1PTGS1PTGS2ALOX5
SCHEMBL28684322 0.97 GABRA1 (0.46) GABRA1SIGMAR1PTGS1PTGS2ALOX5
SCHEMBL5229721 0.97 GABRA1 (0.46) GABRA1SIGMAR1PTGS1PTGS2ALOX5
SCHEMBL27532389 0.90 GABRA1 (0.42) GABRA1SIGMAR1TRPA1
SCHEMBL5231365 0.87 GPR183 (0.34) GABRA1SIGMAR1PTGS1PTGS2ALOX5
SCHEMBL34956 0.84 TUBB1 (0.37) PTGS1PTGS2ALOX5TUBB1
SCHEMBL29373037 0.84 TUBB1 (0.37) PTGS1PTGS2ALOX5TUBB1
SCHEMBL5229472 0.84 TRPA1 (0.41) PTGS2NFE2L2TRPA1JUN
SCHEMBL20599343 0.84 TUBB1 (0.37) PTGS1PTGS2ALOX5TUBB1
SCHEMBL7117533 0.81 TUBB1 (0.37) PTGS1PTGS2ALOX5TUBB1

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
EP-3397682-B1 POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2024-03-27 — — EP disclosed
CN-110305414-B Polyolefin composition and process for preparing the same 赣州蓝风科技有限公司 2021-11-26 — — CN disclosed
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