SCHEMBL8038280

SCHEMBL8038280

O=C(Cc1ccc(Oc2ccc(OCCOc3ccccc3)cc2)cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.56
HCAR2 Q8TDS4 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
PLK1 P53350 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM6B O15054 1/20 0.48
KDM4D Q6B0I6 1/20 0.48
KDM4C Q9H3R0 1/20 0.48

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
SCHEMBL5696409 0.94 ALDH1A1 (0.63) ALDH1A1L3MBTL1GAAHCAR2SMN1; SMN2
SCHEMBL8041236 0.92 PLK1 (0.61) ALDH1A1L3MBTL1GAAHCAR2SMN1; SMN2
SCHEMBL6408802 0.90 ALDH1A1 (0.60) ALDH1A1L3MBTL1GAAHCAR2SMN1; SMN2
SCHEMBL8037895 0.89 ALDH1A1 (0.64) ALDH1A1L3MBTL1GAAHCAR2SMN1; SMN2
SCHEMBL6580909 0.89 HCAR2 (0.60) ALDH1A1L3MBTL1GAAHCAR2SMN1; SMN2
SCHEMBL8027749 0.89 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAAHCAR2SMN1; SMN2
SCHEMBL8044298 0.88 ALDH1A1 (0.60) ALDH1A1L3MBTL1GAAHCAR2SMN1; SMN2
SCHEMBL8041134 0.86 HCAR2 (0.57) ALDH1A1L3MBTL1GAAHCAR2SMN1; SMN2
SCHEMBL8041216 0.86 HCAR2 (0.54) ALDH1A1L3MBTL1GAAHCAR2SMN1; SMN2
SCHEMBL14537776 0.84 MEN1 (0.57) ALDH1A1L3MBTL1HCAR2SMN1; SMN2KDM4E

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