SCHEMBL8041216

SCHEMBL8041216

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.54
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 4/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 2/20 0.46
HPGD P15428 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
SCHEMBL8044170 0.90 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL8044211 0.89 HCAR2 (0.52) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL5696409 0.87 ALDH1A1 (0.63) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8027743 0.86 ALDH1A1 (0.56) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8038280 0.86 ALDH1A1 (0.56) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL6408802 0.86 ALDH1A1 (0.60) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8041236 0.85 PLK1 (0.61) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL6580909 0.85 HCAR2 (0.60) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8044298 0.84 ALDH1A1 (0.60) HCAR2ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8041134 0.84 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