SCHEMBL8912610

SCHEMBL8912610

COc1ccc(-c2ccc(C(CCCCl)=C3CCCCN3)cc2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.38
PDE4B Q07343 9/20 0.38
PDE4C Q08493 9/20 0.38
PDE4D Q08499 9/20 0.38
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 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
SCHEMBL8911187 0.86 ACHE (0.36) KDM4E
SCHEMBL8910792 0.80 TAAR1 (0.39)
SCHEMBL8912125 0.80 HDAC1 (0.33) PDE4BPDE4DALDH1A1HDAC1HDAC8
SCHEMBL8912193 0.70 PLAU (0.35) KDM4EALDH1A1HDAC1
SCHEMBL5665005 0.64 CTNNB1 (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL11369345 0.63 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL11369343 0.63 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7900409 0.61 CYP1A2 (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8886389 0.61 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL18648672 0.61 CYP3A4 (0.50) KDM4EALDH1A1CYP3A4

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
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed