SCHEMBL29248385

SCHEMBL29248385

O=CC1COc2ccc(OCCCCCl)cc2N1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.37
▸ PPARD Q03181 12/20 0.37
▸ FFAR1 O14842 8/20 0.36
▸ PPARA Q07869 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ DRD2 P14416 4/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL28770518 0.86 PPARG (0.40) PPARGPPARDFFAR1PPARATHRA
SCHEMBL28577548 0.78 MAOB (0.42) DRD2MAOB
SCHEMBL27668220 0.74 CHEK1 (0.39) MAOB
SCHEMBL29248386 0.73 LMNA (0.33) PPARGPPARDPPARATHRATHRB
SCHEMBL29248122 0.72 HTR1A (0.58) DRD2HTR1AHTR2AHTR7HTR2B
SCHEMBL27482997 0.72 CYP3A4 (0.37) DRD2MAOBDRD3
SCHEMBL27333181 0.72 KDM4E (0.33) —
SCHEMBL27484641 0.72 MMP12 (0.46) —
SCHEMBL27663613 0.72 CYP19A1 (0.38) —
SCHEMBL27621246 0.71 PARP1 (0.35) —

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
CN-118026945-A Synthetic method of brimesalamine 武汉工程大学 2024-05-14 — — CN disclosed
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