SCHEMBL8383452

SCHEMBL8383452

CC(=O)Oc1cccc(OCCC(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ACHE P22303 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL8385010 0.87 ELANE (0.50) LMNAKDM4EALDH1A1SMN1; SMN2MTNR1A
SCHEMBL8385016 0.86 ACHE (0.48) LMNAMAPK1L3MBTL1ACHEKDM4E
SCHEMBL8381125 0.84 KMT2A (0.44) LMNAMAPK1L3MBTL1KDM4EALDH1A1
SCHEMBL8383409 0.83 LMNA (0.56) LMNAMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8381123 0.82 CYSLTR2 (0.52) —
SCHEMBL8385089 0.81 KMT2A (0.50) LMNACYP3A4KDM4EALDH1A1MTNR1A
SCHEMBL8381127 0.79 PPARG (0.48) LMNAMAPK1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL8379807 0.78 DRD4 (0.52) —
SCHEMBL8383450 0.78 PLA2G4B (0.51) LMNAKDM4EALDH1A1KMT2AGAA
SCHEMBL8385018 0.77 PTGS1 (0.58) LMNACYP3A4MAPK1KDM4EALDH1A1

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-5874436-A EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS DEMERS JAMES P (US) 1999-02-23 — — US disclosed
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