SCHEMBL27354976

SCHEMBL27354976

[CH2]Cc1cc2c(C)cccc2n1CCCC(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 4/20 0.51
▸ CTNNB1 P35222 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ CNR1 P21554 2/20 0.43
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ F10 P00742 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CREBBP Q92793 1/20 0.40

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
SCHEMBL7947022 0.82 F10 (0.55) TNFCTNNB1KDM4ECNR1GAA
SCHEMBL27343262 0.80 KDM4E (0.54) KDM4EL3MBTL1TBXAS1
SCHEMBL27431550 0.79 PSEN1 (0.38) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL12938925 0.73 TNF (0.64) TNFCTNNB1KDM4ECNR1PSEN1
SCHEMBL7961092 0.73 F10 (0.55) CTNNB1KDM4EGAAMEN1KMT2A
SCHEMBL1004093 0.72 TNF (0.63) TNFCTNNB1KDM4ECNR1PSEN1
SCHEMBL1004476 0.72 TNF (0.63) TNFCTNNB1KDM4ECNR1PSEN1
SCHEMBL8693113 0.70 TNF (0.60) TNFCTNNB1KDM4ECNR1GAA
SCHEMBL8693185 0.70 MCL1 (0.58) TNFCTNNB1KDM4ECNR1GAA
SCHEMBL355499 0.69 TNF (0.62) TNFCTNNB1KDM4ECNR1PSEN1

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-1058969-C Novel substd. guanidine derivs., process for prodn. thereof, and pharmaceutical uses thereof SUMITOMO PHARMA (JP) 2000-11-29 — — CN disclosed
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