SCHEMBL11057750

SCHEMBL11057750

O=C(O)Cc1cccc2c1C(=O)c1ccccc1CO2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.57
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HRH1 P35367 1/20 0.41
MAPK14 Q16539 2/20 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
SCHEMBL10462625 0.90 AKR1B1 (0.51) AKR1B1MAPTALDH1A1SMN1; SMN2MAOA
SCHEMBL11217585 0.85 ALDH1A1 (0.47) AKR1B1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL11189387 0.84 AKR1B1 (0.55) AKR1B1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL9870431 0.84 AKR1B1 (0.46) AKR1B1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL11187633 0.83 AKR1B1 (0.54) AKR1B1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL10564057 0.83 AKR1B1 (0.54) AKR1B1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL343740 0.83 MAOA (0.47) AKR1B1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL246198 0.82 ALDH1A1 (0.45) AKR1B1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL10986445 0.80 AKR1B1 (0.39) AKR1B1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL10852984 0.79 AKR1B1 (0.50) AKR1B1MAPTALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55000372-A None JP disclosed
JP-55108868-A None JP disclosed
US-4515946-A 6,11-Dihydro-11-oxo-dibenz-[b,e]oxepin derivatives HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-05-07 US disclosed
US-4417063-A Process for preparation of 6,11-dihydro-11-oxodibenz[b,e]oxepinacetic acids HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-11-22 US disclosed
US-4417063-A Process for preparation of 6,11-dihydro-11-oxodibenz[b,e]oxepinacetic acids HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-11-22 US disclosed
US-4417063-A Process for preparation of 6,11-dihydro-11-oxodibenz[b,e]oxepinacetic acids HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-11-22 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
JP-S55108868-A DIBENZOXEPIN DERIVATIVE DAI ICHI SEIYAKU CO LTD 1980-08-21 JP disclosed
JP-S55372-A PREPARATION OF DIBENZOXEPIN DERIVATIVE DAI ICHI SEIYAKU CO LTD 1980-01-05 JP disclosed