SCHEMBL25700623

SCHEMBL25700623

CCCCCc1c(C)c(C)c(CCCCC)c2nsnc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.36
▸ TYMP P19971 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ CCR5 P51681 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL13589744 0.85 TNF (0.38) TNFTYMPALDH1A1KCNH2CHRM1
SCHEMBL29739831 0.82 ALDH1A1 (0.42) TNFALDH1A1KCNH2MAPTCHRM1
SCHEMBL25700629 0.80 — —
SCHEMBL22951196 0.79 ALDH1A1 (0.36) TNFTYMPALDH1A1KCNH2CHRM1
SCHEMBL25700624 0.77 MEN1 (0.30) MAPT
SCHEMBL17660029 0.74 MAPT (0.42) TNFALDH1A1KCNH2MAPTHTT
SCHEMBL19116363 0.74 GCGR (0.36) MAPTTLR8TYRHTT
SCHEMBL18843387 0.73 ALOX5 (0.37) MAPTTLR8TYRHTT
SCHEMBL4945503 0.72 TYR (0.43) TNFALDH1A1KCNH2MAPTCHRM1
SCHEMBL7213588 0.72 CHRM1 (0.45) ALDH1A1KCNH2CHRM1

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-20230200202-A1 ORGANIC SEMICONDUCTING COMPOUNDS Raynergy Tek Incorporation (TW) 2023-06-22 — — US disclosed
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