SCHEMBL8798986

SCHEMBL8798986

CCOC(=O)CCCCCN(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(OC)cc(C(C)(C)C)c1OCOC

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.32
ALDH1A1 P00352 4/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 2/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
CCR2 P41597 1/20 0.31
CCKBR P32239 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL8798826 0.89 MAPT (0.37) MAPTALDH1A1TP53GAAKMT2A
SCHEMBL8798530 0.84 SMN1; SMN2 (0.31)
SCHEMBL8798554 0.81 SMN1; SMN2 (0.33)
SCHEMBL8798368 0.80 SMN1; SMN2 (0.39) ALDH1A1KMT2AMAPK1TDP1CNR1
SCHEMBL8804341 0.67 LMNA (0.34) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL8702537 0.65 RECQL (0.39) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL8707922 0.64 CA1 (0.41) ALDH1A1GAATDP1EGFR
SCHEMBL8702761 0.64 LPAR1 (0.39) MAPTKMT2AMEN1NPSR1
SCHEMBL11626762 0.64 ALDH1A1 (0.56) ALDH1A1GAAKMT2AMEN1
SCHEMBL8703601 0.63 MAPK14 (0.47) MAPTALDH1A1KMT2AMEN1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed