SCHEMBL8602176

SCHEMBL8602176

CCCCCCCn1cc(C)c2ccc(CC(=O)O)cc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.61
CDC25A P30304 1/20 0.54
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CNR2 P34972 2/20 0.46
MAPT P10636 1/20 0.46
ICMT O60725 3/20 0.44

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
SCHEMBL16587422 0.84 SLC22A12 (0.70) SLC22A12ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8602713 0.84 SLC22A12 (0.63) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1552793 0.82 PDE4A (0.62) SLC22A12CDC25APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL8605727 0.81 PDE4A (0.61) SLC22A12CDC25APDE4APDE4BPDE4C
SCHEMBL8599992 0.79 PDE4A (0.57) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8605723 0.79 PDE4A (0.64) SLC22A12CDC25APDE4APDE4BPDE4C
SCHEMBL17316681 0.78 SLC22A12 (0.61) SLC22A12ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8604518 0.78 SLC22A12 (0.65) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8602152 0.78 SLC22A12 (0.78) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8604805 0.77 SLC22A12 (0.74) SLC22A12PDE4APDE4BPDE4CPDE4D

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