SCHEMBL9053891

SCHEMBL9053891

CCC(=C(C(=O)O)C(=O)O)c1ccc(OC)c(CC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 3/20 0.36
PDE4D Q08499 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ATM Q13315 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL11560765 0.82 MAPT (0.46) TDP1MAPTKDM4EPDE4DMEN1
SCHEMBL13607855 0.82 MAPT (0.57) TDP1MAPTKDM4EPDE4DMEN1
SCHEMBL9168406 0.80 KDM4E (0.40) TDP1MAPTKDM4EMEN1KMT2A
SCHEMBL9624023 0.80 RXFP1 (0.33) TDP1MAPTKDM4EPDE4DMEN1
SCHEMBL2214596 0.80 MAPT (0.36) TDP1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3360767 0.78 HMGCR (0.40) TDP1MAPTSMN1; SMN2LMNAHTT
SCHEMBL9052311 0.75 DRD2 (0.45) TDP1MAPTKDM4EMEN1KMT2A
SCHEMBL9168647 0.74 PTPN1 (0.39) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL5444623 0.73 TDP1 (0.50) TDP1MAPTKDM4EPDE4DALDH1A1
SCHEMBL3782773 0.72 MAPT (0.62) TDP1MAPTKDM4EPDE4DALDH1A1

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
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed