SCHEMBL10283084

SCHEMBL10283084

O=C(CCCCCN1C(=O)C=CC1=O)NCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ HTT P42858 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ PTGS1 P23219 7/20 0.58
▸ PTGS2 P35354 7/20 0.58
▸ MGLL Q99685 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ FAAH O00519 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ TLR9 Q9NR96 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ RAB9A P51151 1/20 0.53

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
SCHEMBL13113726 0.91 PTGS1 (0.55) ALDH1A1HTTKDM4EGAAPTGS1
SCHEMBL15606237 0.90 PTGS1 (0.51) ALDH1A1HTTKDM4EGAAPTGS1
SCHEMBL12848812 0.87 ALDH1A1 (0.44) ALDH1A1HTTKDM4EGAAPTGS1
SCHEMBL16862559 0.86 PTGS1 (0.57) ALDH1A1HTTKDM4EGAAPTGS1
SCHEMBL17841970 0.86 PTGS1 (0.71) ALDH1A1HTTKDM4EGAAPTGS1
SCHEMBL17841910 0.86 PTGS1 (0.61) ALDH1A1HTTKDM4EGAAPTGS1
SCHEMBL17739715 0.86 PTGS1 (0.57) ALDH1A1HTTKDM4EGAAPTGS1
SCHEMBL17739717 0.86 PTGS1 (0.57) ALDH1A1HTTKDM4EGAAPTGS1
SCHEMBL13077804 0.86 PTGS1 (0.47) ALDH1A1HTTKDM4EGAAPTGS1
SCHEMBL15354307 0.85 PTGS1 (0.55) ALDH1A1HTTKDM4EGAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466976-B1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2021-09-08 — — EP disclosed
WO-2014008375-A1 TERMINALLY MODIFIED POLYMERS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. (US) 2014-01-09 — — WO disclosed
WO-2012016188-A2 METHODS AND COMPOSITIONS FOR DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 — — WO disclosed
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