SCHEMBL7796247

SCHEMBL7796247

O=C1c2ccc(O)cc2-c2c(O)cccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.62
MAPT P10636 5/20 0.62
ALDH1A1 P00352 4/20 0.62
MAOB P27338 3/20 0.62
MAPK1 P28482 3/20 0.62
TSHR P16473 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
HPGD P15428 3/20 0.62
ALOX15 P16050 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HSD17B10 Q99714 3/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 1/20 0.62
ESR1 P03372 1/20 0.61
UGT1A1 P22309 1/20 0.61
ESR2 Q92731 1/20 0.61
AURKA O14965 1/20 0.59
DYRK1A Q13627 1/20 0.59
TTR P02766 3/20 0.59
P4HB P07237 1/20 0.55

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
SCHEMBL7792651 0.93 MAOA (0.62) MAOAMAPTALDH1A1MAOBMAPK1
SCHEMBL31560165 0.91 MAOA (0.68) MAOAMAPTALDH1A1MAOBMAPK1
SCHEMBL29928804 0.91 MAOA (0.68) MAOAMAPTALDH1A1MAOBMAPK1
SCHEMBL2770562 0.91 MAOA (0.68) MAOAMAPTALDH1A1MAOBMAPK1
SCHEMBL2770797 0.91 MAOA (0.68) MAOAMAPTALDH1A1MAOBMAPK1
SCHEMBL10011427 0.85 MAOA (0.64) MAOAMAPTALDH1A1MAOBMAPK1
SCHEMBL30420953 0.82 MAPT (0.75) MAOAMAPTALDH1A1MAOBMAPK1
SCHEMBL2076402 0.82 MAPT (0.75) MAOAMAPTALDH1A1MAOBMAPK1
SCHEMBL4408404 0.81 MAOA (0.64) MAOAMAPTALDH1A1MAOBMAPK1
Anthraflavicacid SCHEMBL28102629 0.81 MAOA (0.70) MAOAMAPTALDH1A1MAOBMAPK1

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
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed