SCHEMBL8041182

SCHEMBL8041182

O=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccc(OCCCc3ccccc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.68
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
PLK3 Q9H4B4 3/20 0.61
NR1H4 Q96RI1 1/20 0.57
CASP3 P42574 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
CACNA1H O95180 2/20 0.53
DHODH Q02127 1/20 0.53
SERPINE1 P05121 1/20 0.53
CACNA1B Q00975 1/20 0.53
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
BACE1 P56817 1/20 0.52

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
SCHEMBL8027782 0.85 PLK1 (0.93) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL30466712 0.85 MEN1 (0.72) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL2025586 0.85 MEN1 (0.72) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL2290164 0.84 SMN1; SMN2 (0.76) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL2292518 0.84 SERPINE1 (0.71) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL2273929 0.83 NR1H4 (0.60) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL5936643 0.82 SMN1; SMN2 (0.61) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL14075231 0.82 PLK1 (0.84) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL8027764 0.81 MEN1 (0.67) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL6337620 0.80 PLK1 (0.60) PLK1NPC1RAB9AMEN1KMT2A

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