SCHEMBL9218201

SCHEMBL9218201

CCOC(=O)CCc1ccc(OCc2ccccc2C(=O)OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.50
FFAR4 Q5NUL3 7/20 0.50
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
PTPN1 P18031 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 2/20 0.46
AKR1B1 P15121 1/20 0.46
LTA4H P09960 1/20 0.45
ABCB1 P08183 1/20 0.45

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
SCHEMBL9843420 0.85 FFAR1 (0.64) FFAR1FFAR4AKR1B1
SCHEMBL5989500 0.84 NPC1 (0.56) FFAR4POLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL3997587 0.83 FFAR1 (0.50) FFAR1FFAR4POLBMAPTSMN1; SMN2
SCHEMBL8588987 0.82 MAOB (0.57) FFAR1FFAR4POLBMAPTSMN1; SMN2
SCHEMBL4417759 0.81 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL4415159 0.81 TSHR (0.50) FFAR1FFAR4SMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4002659 0.81 MAOB (0.59) FFAR1FFAR4POLBMAPTSMN1; SMN2
SCHEMBL3997793 0.81 LTA4H (0.56) FFAR1FFAR4CYP4F2CYP4A11POLB
SCHEMBL2801838 0.80 ALDH1A1 (0.52) CYP4F2CYP4A11POLBMAPTSMN1; SMN2
SCHEMBL13869719 0.80 KMT2A (0.57) FFAR1FFAR4SMN1; SMN2KDM4EAKR1B1

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
EP-0419844-B1 N-hydroxy-dibenz[b,e]oxepin-alkylamines and -alkanoic acid amides, related heterocyclic analogues, a process for their preparation and their use in the manufacture of medicaments HOECHST ROUSSEL PHARMA (US) 1995-04-05 EP disclosed
EP-0419844-A1 N-hydroxy-dibenz[b,e]oxepin-alkylamines and -alkanoic acid amides, related heterocyclic analogues, a process for their preparation and their use in the manufacture of medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-04-03 EP disclosed