SCHEMBL9664312

SCHEMBL9664312

CCc1cc2c(cc(C(=O)OC)n2S(=O)(=O)c2ccc(C)cc2)c(CC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.51
▸ NOD2 Q9HC29 4/20 0.51
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL10002626 0.75 NOD1 (0.61) NOD1NOD2MAPTKDM4ELMNA
SCHEMBL10003206 0.74 NOD1 (0.58) NOD1NOD2MAPTKDM4ELMNA
SCHEMBL14627380 0.74 NOD1 (0.78) NOD1NOD2MAPTLMNAALDH1A1
SCHEMBL30889670 0.73 NOD1 (0.53) NOD1NOD2MAPTKDM4ELMNA
SCHEMBL10003163 0.73 NOD1 (0.53) NOD1NOD2MAPTKDM4ELMNA
SCHEMBL30889582 0.73 NOD1 (0.53) NOD1NOD2MAPTKDM4ELMNA
SCHEMBL10003676 0.73 NOD1 (0.56) NOD1NOD2MAPTKDM4ELMNA
SCHEMBL3186556 0.72 CYP2C9 (0.51) MAPTKDM4ELMNATSHRALDH1A1
SCHEMBL23147960 0.72 NOD2 (0.44) NOD1NOD2MAPTKDM4ELMNA
SCHEMBL29812861 0.72 NOD2 (0.44) NOD1NOD2MAPTKDM4ELMNA

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
EP-0511791-A2 Pyrrolopyridine derivatives as Angiotensin inhibitors ZENECA LIMITED (GB) 1992-11-04 — — EP disclosed
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