SCHEMBL13589744

SCHEMBL13589744

CCCCCCc1c(CCCCCC)c(C)c2nsnc2c1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ TYR P14679 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CCR5 P51681 3/20 0.33
▸ TYMP P19971 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL25700623 0.85 TNF (0.36) TNFALDH1A1KCNH2TYRCHRM1
SCHEMBL29739831 0.80 ALDH1A1 (0.42) TNFALDH1A1KCNH2CHRM1HPGD
SCHEMBL22951196 0.77 ALDH1A1 (0.36) TNFALDH1A1KCNH2CHRM1TYMP
SCHEMBL12981888 0.77 TYR (0.38) TNFALDH1A1KCNH2TYRCHRM1
SCHEMBL17660029 0.76 MAPT (0.42) TNFALDH1A1KCNH2THRBHPGD
SCHEMBL23352369 0.75 CHRM1 (0.39) KCNH2CHRM1THRB
SCHEMBL9980575 0.74 TSHR (0.47) ALDH1A1KCNH2TYRCHRM1CCR5
SCHEMBL5138521 0.74 TSHR (0.47) ALDH1A1KCNH2TYRCHRM1CCR5
SCHEMBL11651008 0.72 TSHR (0.44) ALDH1A1KCNH2TYRCHRM1CCR5
SCHEMBL17008157 0.71 TSHR (0.57) ALDH1A1KCNH2CHRM1TYMPTSHR

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-20090302748-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-10 — — US disclosed
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