SCHEMBL8490001

SCHEMBL8490001

CCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCSC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.61
PDE4B Q07343 14/20 0.61
PDE4A P27815 6/20 0.61
PDE4C Q08493 6/20 0.61
ABCB11 O95342 1/20 0.53
CYP2B6 P20813 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7354406 0.90 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7379219 0.88 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL71596 0.80 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7341113 0.77 PDE4D (0.84) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7336538 0.77 PDE4D (0.84) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7336534 0.77 PDE4D (0.84) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL2889262 0.76 PDE4B (0.74) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL30084828 0.76 PDE4B (0.74) PDE4DPDE4BPDE4APDE4CABCB11
Piclamilast SCHEMBL26573 0.76 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7335658 0.76 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CABCB11

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-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US disclosed