SCHEMBL7916552

SCHEMBL7916552

C=C(OC)c1ccc2cccc(-c3cccc(F)c3Cl)c2c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.34
JAK3 P52333 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
CTSA P10619 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP17A1 P05093 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
PDCD1LG2 Q9BQ51 3/20 0.30
CD274 Q9NZQ7 3/20 0.30
MAPK14 Q16539 1/20 0.30
F2 P00734 1/20 0.30
PLG P00747 1/20 0.30
PLAT P00750 1/20 0.30
KLK1 P06870 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL7919038 0.86 PLAU (0.36) PLAUAKR1C3AKR1C2NPC1RAB9A
SCHEMBL7916827 0.85 PLAU (0.33) PLAUAKR1C3AKR1C2
SCHEMBL16502539 0.85 NPC1 (0.45) PLAUNPC1RAB9AMAPK14
SCHEMBL7917796 0.84 PLAU (0.35) PLAUAKR1C3AKR1C2RAB9AF2
SCHEMBL7908906 0.81 PLAU (0.34) PLAURAB9AF2PLGPLAT
SCHEMBL7920004 0.80 PLAU (0.34) PLAURAB9AF2PLGPLAT
SCHEMBL7918428 0.79 SLC6A4 (0.40) PLAUNPC1RAB9AF2PLG
SCHEMBL16502546 0.79 PLA2G2D (0.49) AKR1C3AKR1C2
SCHEMBL7913827 0.79 ALOX15 (0.36) PLAUNPC1RAB9ACYP17A1CYP11B1
SCHEMBL7915719 0.78 RAB9A (0.40) NPC1RAB9A

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
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO disclosed