SCHEMBL10554226

SCHEMBL10554226

O=C1c2ccc(F)cc2COc2ccc(F)cc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 2/20 0.53
MAPK14 Q16539 8/20 0.49
NOTUM Q6P988 1/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
FABP6 P51161 1/20 0.46
HTR2B P41595 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL1919447 0.90 APP (0.47) ALDH1A1MAPTRAB9AMAPK14NOTUM
SCHEMBL8797223 0.89 MAPT (0.68) ALDH1A1MAPTRAB9AMAPK14KDM4E
SCHEMBL4043697 0.88 MAPK14 (0.56) MAPK14
SCHEMBL14559426 0.87 MAPK14 (0.60) ALDH1A1MAPTRAB9AMAPK14KDM4E
SCHEMBL13939922 0.87 MAPT (0.69) ALDH1A1MAPTRAB9AMAPK14KDM4E
SCHEMBL10565418 0.83 AKR1B1 (0.62)
SCHEMBL10555531 0.80 MAPK14 (0.60) MAPK14
SCHEMBL3098370 0.79 MAPK14 (0.68) ALDH1A1MAPTRAB9AMAPK14KDM4E
SCHEMBL15782103 0.78 MAPK14 (0.52) MAPK14MAOB
SCHEMBL15766737 0.78 MAPK14 (0.51) MAPK14TDP1L3MBTL1

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
US-4889858-A ANTIHYPOXIC AGENTS, ANTICONVULSANTS, LIPID PEROXIDATION INHIBITORS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 US disclosed
EP-0269755-A1 DIBENZ b,e OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT Dainippon Pharmaceutical Co., Ltd. (JP) 1988-06-08 EP disclosed