SCHEMBL28839682

SCHEMBL28839682

CCCCCCCCOc1cc(OCCCCCCCC)cc(-c2cc3cc4nc(c(Br)c5ccc(cc6nc(c(Br)c2[nH]3)C=C6)[nH]5)C=C4)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ PLA2G2A P14555 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 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
SCHEMBL28839720 0.85 STAT3 (0.34) STAT3STAT1PLA2G2ATSHRPDE5A
SCHEMBL29140523 0.84 PDE5A (0.37) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL28839762 0.82 PLA2G2A (0.36) PLA2G2ATSHRPDE5APDE4APDE4B
SCHEMBL29395084 0.81 STAT3 (0.50) STAT3STAT1PLA2G2ATSHRPDE5A
SCHEMBL28879055 0.80 STAT3 (0.49) STAT3STAT1PLA2G2ATSHRPDE5A
SCHEMBL28672577 0.77 STAT3 (0.38) STAT3STAT1
SCHEMBL28684342 0.77 STAT3 (0.39) STAT3STAT1
SCHEMBL28702500 0.76 TERT (0.40) PLA2G2A
SCHEMBL29397238 0.76 TERT (0.40) PLA2G2A
SCHEMBL28931253 0.75 STAT3 (0.38) STAT3STAT1

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-109939735-B Phase transfer catalyst and synthesis method thereof 湖南科技大学 2022-02-18 — — CN claimed
CN-109939735-B Phase transfer catalyst and synthesis method thereof 湖南科技大学 2022-02-18 — — CN disclosed
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