SCHEMBL9325938

SCHEMBL9325938

COC(=O)c1cc(OCCCOc2ccccc2-c2ccccc2)cc(OCCCOc2ccccc2-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
TDP1 Q9NUW8 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ADRB2 P07550 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
PKM P14618 1/20 0.47

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
SCHEMBL9325012 0.87 RXRA (0.56) KDM4EL3MBTL1TDP1HTTLMNA
SCHEMBL9324868 0.84 MAPT (0.61) L3MBTL1TDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9325774 0.82 MAPT (0.55) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL7826725 0.79 MAPT (0.54) KDM4EL3MBTL1TDP1LMNAGAA
SCHEMBL1543712 0.77 MAPT (0.55) KDM4EL3MBTL1TDP1LMNAGAA
SCHEMBL9325175 0.77 KMT2A (0.55) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL762838 0.76 MAPT (0.55) MAPTRAB9A
SCHEMBL9323928 0.76 LMNA (0.60) KDM4EHTTLMNASMN1; SMN2MEN1
SCHEMBL4601631 0.76 L3MBTL1 (0.53) KDM4EL3MBTL1TDP1LMNAMAPK1
SCHEMBL2039160 0.76 KDM4E (0.58) KDM4EL3MBTL1TDP1LMNAMAPK1

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-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US disclosed
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed