SCHEMBL8486270

SCHEMBL8486270

O=C(O)c1ccccc1COc1ccc(CCCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.64
EPHX2 P34913 1/20 0.64
FFAR1 O14842 13/20 0.53
FFAR4 Q5NUL3 10/20 0.53
FOLH1 Q04609 1/20 0.50
AKR1B1 P15121 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL10608032 0.95 LTA4H (0.57) LTA4HEPHX2FFAR1FFAR4FOLH1
SCHEMBL13870541 0.92 FFAR1 (0.56) LTA4HEPHX2FFAR1FFAR4FOLH1
SCHEMBL11621301 0.88 FFAR1 (0.60) FFAR1FFAR4AKR1B1
SCHEMBL4002167 0.86 FFAR1 (0.55) LTA4HEPHX2FFAR1FFAR4FOLH1
SCHEMBL3993570 0.86 FFAR1 (0.58) LTA4HEPHX2FFAR1FFAR4HTT
SCHEMBL3997793 0.85 LTA4H (0.56) LTA4HEPHX2FFAR1FFAR4AKR1B1
SCHEMBL11614598 0.85 FFAR1 (0.59) FFAR1FFAR4AKR1B1
SCHEMBL11617007 0.85 FFAR1 (0.59) FFAR1FFAR4AKR1B1
SCHEMBL10689361 0.84 FFAR1 (0.71) FFAR1FFAR4AKR1B1
Hydrochloric Acid SCHEMBL6157166 0.83 MAOB (0.63) FFAR1FFAR4FOLH1AKR1B1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5917057-A USEFUL AS ANALGESICS AND TOPICAL ANTIINFLAMMATORY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1999-06-29 US disclosed
US-5840749-A ANALGESICS, INHIBITORS OF CYCLOOXYGENASE AND/OR LIPOXYGENASE, TREATMENT OF DERMATOSES HOECHST MARION ROUSSEL, INC. (US) 1998-11-24 US disclosed
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