SCHEMBL8038282

SCHEMBL8038282

O=C(O)c1ccccc1NC(=O)C(Oc1ccc(OCCOc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HCAR2 Q8TDS4 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 6/20 0.49
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAPT P10636 1/20 0.45
TEAD4 Q15561 1/20 0.45

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
SCHEMBL8037897 0.89 CTSV (0.52) KMT2AMEN1HCAR2SMN1; SMN2NPC1
SCHEMBL8027750 0.89 PLK1 (0.45) PLK1KMT2AMEN1HCAR2SMN1; SMN2
SCHEMBL8041218 0.87 MEN1 (0.49) PLK1KMT2AMEN1HCAR2SMN1; SMN2
SCHEMBL8044213 0.85 MEN1 (0.50) PLK1KMT2AMEN1HCAR2SMN1; SMN2
SCHEMBL8027746 0.85 ALDH1A1 (0.55) KMT2AMEN1HCAR2SMN1; SMN2NPC1
SCHEMBL8039700 0.84 ALDH1A1 (0.49) PLK1KMT2AMEN1HCAR2SMN1; SMN2
SCHEMBL8037867 0.82 TSHR (0.57) PLK1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8038287 0.82 FNTA (0.52) KMT2AMEN1HCAR2SMN1; SMN2NPC1
SCHEMBL8041190 0.79 TSHR (0.53) KMT2ASMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL8039687 0.79 SRD5A1 (0.43) KMT2AMEN1ALDH1A1TSHRTDP1

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-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed