SCHEMBL8574189

SCHEMBL8574189

COc1ccc(CC(=O)O)c2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
MMP2 P08253 1/20 0.42
RNASEH1 O60930 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
NTRK1 P04629 4/20 0.39
NTRK2 Q16620 4/20 0.39
STING1 Q86WV6 1/20 0.39
BRS3 P32247 1/20 0.38
ECE1 P42892 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8570003 0.93 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL8574149 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DRNASEH1
SCHEMBL2524512 0.84 HSD17B10 (0.42) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL1553391 0.83 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMMP2
SCHEMBL8574115 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL8569965 0.83 RAB9A (0.48) HSD17B10STING1HPGD
SCHEMBL8571583 0.83 SMN1; SMN2 (0.43) HSD17B10STING1
Hydrochloric Acid SCHEMBL8571356 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMMP2
SCHEMBL1553518 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DMMP2
SCHEMBL8571347 0.81 PDE4D (0.59) PDE4APDE4BPDE4CPDE4DMMP2

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