SCHEMBL28839761

SCHEMBL28839761

CCCCCCCCOc1cc(OCCCCCCCC)cc(C2=CC3=CC4=NC(=CC5=NC(=CC6=NC(=CC2=N3)C=C6)C=C5)C=C4)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.37
▸ BLM P54132 1/20 0.34
▸ TSHR P16473 1/20 0.32
▸ NR5A1 Q13285 1/20 0.32
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ RARB P10826 3/20 0.30
▸ PTPN1 P18031 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
SCHEMBL28436255 0.88 RARB (0.40) TSHRNR5A1RARB
SCHEMBL28493240 0.88 RARB (0.40) TSHRNR5A1RARB
SCHEMBL28713240 0.82 PLA2G2A (0.36) PLA2G2ABLMTSHRNR5A1CNR1
SCHEMBL6847308 0.82 PLA2G2A (0.34) PLA2G2ABLM
SCHEMBL28839685 0.81 PLA2G2A (0.31) PLA2G2A
SCHEMBL28839722 0.81 PLA2G2A (0.31) PLA2G2A
SCHEMBL28418542 0.80 SRC (0.36) —
SCHEMBL29140533 0.78 MCHR1 (0.38) TSHR
SCHEMBL28169162 0.77 PDE5A (0.39) CNR2
SCHEMBL28408315 0.75 PLA2G2A (0.33) PLA2G2A

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
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
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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