SCHEMBL9119355

SCHEMBL9119355

O=Cc1cc(Cl)ccc1OCCCCCBr

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 1/20 0.44
S1PR4 O95977 2/20 0.43
ERN1 O75460 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL28847207 0.87 KDM4E (0.54) KDM4EALDH1A1PKMMAPTS1PR4
SCHEMBL28953715 0.84 ALDH1A1 (0.55) KDM4EALDH1A1PKMMAPTS1PR4
SCHEMBL19328399 0.83 ALDH1A1 (0.42) KDM4EALDH1A1PKMSMN1; SMN2LMNA
SCHEMBL3630965 0.82 ALDH1A1 (0.43) KDM4EALDH1A1PKMMAPTS1PR4
SCHEMBL4209039 0.81 KDM4E (0.51) KDM4EALDH1A1PKMMAPTS1PR4
SCHEMBL5882305 0.79 ERN1 (0.50) KDM4EALDH1A1PKMMAPTS1PR4
SCHEMBL30304115 0.79 KMT2A (0.56) KDM4EALDH1A1PKMMAPTS1PR4
SCHEMBL14785176 0.79 KMT2A (0.56) KDM4EALDH1A1PKMMAPTS1PR4
SCHEMBL30902395 0.79 ERN1 (0.50) KDM4EALDH1A1PKMMAPTS1PR4
SCHEMBL1283086 0.78 MAPT (0.58) KDM4EALDH1A1MAPTS1PR4SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed