SCHEMBL9219969

SCHEMBL9219969

O=C(Cl)Cc1ccc2c(c1)C(=O)c1ccccc1CO2

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.63
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
TDP1 Q9NUW8 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
Isoxepac SCHEMBL29588437 0.88 AKR1B1 (0.81) AKR1B1ALDH1A1MAPTRAB9A
Isoxepac SCHEMBL24970 0.88 AKR1B1 (0.81) AKR1B1ALDH1A1MAPTRAB9A
SCHEMBL342988 0.87 AKR1B1 (0.63) AKR1B1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL12796661 0.87 ALDH1A1 (0.63) AKR1B1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL243707 0.85 AKR1B1 (0.60) AKR1B1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4008419 0.84 ALDH1A1 (0.60) AKR1B1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL10565046 0.84 ALDH1A1 (0.61) AKR1B1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL13870524 0.83 ALDH1A1 (0.67) AKR1B1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL13538726 0.83 ALDH1A1 (0.59) AKR1B1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9216642 0.83 AKR1B1 (0.58) AKR1B1ALDH1A1MAPTSMN1; SMN2

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 7 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
US-4816591-A 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives AMERICAN HOECHST CORPORATION (US) 1989-03-28 US disclosed
US-4585788-A 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives AMERICAN HOECHST CORPORATION (US) 1986-04-29 US disclosed
US-4576960-A 6,11-Dihydro-11-oxo-dibenz[b,e]oxepin derivatives HOECHST ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-03-18 US disclosed
US-4515946-A 6,11-Dihydro-11-oxo-dibenz-[b,e]oxepin derivatives HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-05-07 US disclosed
EP-0082521-A1 6,11-Dihydro-11,-oxo-dibenz(b,e)-oxepin derivatives, methods for their preparation, pharmaceutical compositions containing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-06-29 EP disclosed