SCHEMBL8044211

SCHEMBL8044211

CCC(CC)COc1ccc(Oc2ccc(CC(=O)Nc3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PLK1 P53350 1/20 0.45
PTGER4 P35408 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
SCHEMBL8039718 0.90 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EKMT2ALMNA
SCHEMBL8041216 0.89 HCAR2 (0.54) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8041236 0.85 PLK1 (0.61) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL5696409 0.85 ALDH1A1 (0.63) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8039697 0.84 ALDH1A1 (0.55) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL6408802 0.84 ALDH1A1 (0.60) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8038280 0.84 ALDH1A1 (0.56) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL6580909 0.83 HCAR2 (0.60) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8044298 0.82 ALDH1A1 (0.60) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8041134 0.82 HCAR2 (0.57) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E

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