SCHEMBL25070429

SCHEMBL25070429

CCCCC(CC)CCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCC(CC)CCCC)cc5F)cc4)c4nc(C)c(C)nc34)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 1/20 0.35
▸ GCGR P47871 10/20 0.34
▸ PSMB5 P28074 1/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ SOAT1 P35610 1/20 0.32
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 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
SCHEMBL18217161 0.91 RARB (0.34) RARBGCGRS1PR1S1PR3MMP2
SCHEMBL18418561 0.89 RARB (0.39) RARBGCGRS1PR1S1PR3MMP2
SCHEMBL18217140 0.88 GCGR (0.31) GCGR
SCHEMBL20176720 0.86 RARB (0.30) RARB
SCHEMBL19636613 0.85 RARB (0.36) RARBGCGRS1PR1S1PR3MMP2
SCHEMBL25070427 0.84 GCGR (0.37) RARBGCGRDGAT1SOAT1
SCHEMBL22299264 0.84 RARB (0.36) RARBGCGRS1PR1S1PR3MMP2
SCHEMBL25070666 0.84 — —
SCHEMBL20182253 0.84 RARB (0.32) RARBS1PR1S1PR3
SCHEMBL25070451 0.82 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
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