SCHEMBL7308195

SCHEMBL7308195

CCCCOc1ccc(OCCCC)c(OCCCC)c1[O]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA9 Q16790 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ TSHR P16473 3/20 0.38
▸ CHRM2 P08172 3/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ KCNH2 Q12809 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
SCHEMBL7303879 0.90 KDM4E (0.43) LMNAMAPTKDM4EALDH1A1NPSR1
SCHEMBL1984241 0.85 CYP1A2 (0.52) LMNAMAPTKDM4EALDH1A1NPSR1
SCHEMBL7930638 0.79 CYP1A2 (0.57) LMNAMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL2051019 0.77 CYP1A2 (0.50) LMNAMAPTKDM4EALDH1A1NPSR1
SCHEMBL7306616 0.77 LMNA (0.42) LMNAMAPTKDM4EALDH1A1NPSR1
SCHEMBL1238407 0.77 LMNA (0.60) LMNAMAPTKDM4EALDH1A1NPSR1
SCHEMBL24608167 0.76 CYP1A2 (0.52) LMNAMAPTKDM4EALDH1A1NPSR1
SCHEMBL4961675 0.76 KDM4E (0.44) LMNAMAPTKDM4EALDH1A1NPSR1
SCHEMBL8220033 0.76 ALDH1A1 (0.44) LMNAMAPTKDM4EALDH1A1NPSR1
SCHEMBL5250022 0.76 LMNA (0.44) LMNAMAPTKDM4EALDH1A1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 — — US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 — — EP disclosed
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