SCHEMBL7785523

SCHEMBL7785523

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL7785657 0.93 SMN1; SMN2 (0.37) MAPTALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL7789422 0.89 ABCB1 (0.40) MAPTALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL7785512 0.88 ALDH1A1 (0.41) MAPTALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL7785104 0.84 GAA (0.46) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL7784893 0.83 ALDH1A1 (0.34) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL7785272 0.81 KMT2A (0.41) MAPTALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL7785707 0.80 MAPT (0.43) MAPTALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL7787701 0.79 MAPK1 (0.45) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL7787867 0.79 MAPK1 (0.45) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL7780352 0.79 MAPK1 (0.45) MAPTALDH1A1MAPK1SMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed