SCHEMBL8570416

SCHEMBL8570416

COc1ccc(C(=O)O)c2[nH]c(CCCCc3ccccc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.52
PDE4A P27815 5/20 0.52
PDE4B Q07343 5/20 0.52
PDE4C Q08493 5/20 0.52
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX5 P09917 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
DHODH Q02127 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1553391 0.93 PDE4A (0.58) PDE4DPDE4APDE4BPDE4CDHODH
Hydrochloric Acid SCHEMBL8571356 0.92 PDE4A (0.57) PDE4DPDE4APDE4BPDE4CDHODH
SCHEMBL8570317 0.91 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL1553610 0.87 PDE4A (0.58) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL8575070 0.86 PDE4A (0.57) PDE4DPDE4APDE4BPDE4C
SCHEMBL8570003 0.84 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CHPGD
SCHEMBL1554148 0.84 PDE4A (0.44) PDE4DPDE4APDE4BPDE4CPPARG
SCHEMBL8571347 0.84 PDE4D (0.59) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL1553518 0.84 PDE4A (0.59) PDE4DPDE4APDE4BPDE4C
SCHEMBL7361900 0.81 PDE4D (0.77) PDE4DPDE4APDE4BPDE4C

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed