SCHEMBL8890131

SCHEMBL8890131

COc1ccc(C(CO)c2c(Cl)cncc2Cl)cc1OCCc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
PDE4D Q08499 4/20 0.41
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PTAFR P25105 3/20 0.39
CHEK1 O14757 1/20 0.39
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 3/20 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
SCHEMBL8889715 0.83 PTAFR (0.40) PDE4ACYP11B1CYP11B2PDE4DPDE4B
SCHEMBL8890126 0.82 PDE4D (0.45) PDE4ACYP11B1CYP11B2PDE4DPDE4B
SCHEMBL14164834 0.82 PPARG (0.49) PDE4APDE4DKMT2AL3MBTL1
SCHEMBL14164953 0.82 PPARG (0.49) PDE4APDE4DKMT2AL3MBTL1
SCHEMBL6424862 0.81 S1PR1 (0.42) PDE4APDE4DPDE4BPDE4CALDH1A1
SCHEMBL8889603 0.76 ALDH1A1 (0.58) PDE4ACYP11B1CYP11B2PDE4DPDE4B
SCHEMBL8889710 0.74 PDE4D (0.67) PDE4ACYP11B1CYP11B2PDE4DPDE4B
SCHEMBL8890455 0.74 ALDH1A1 (0.39) PDE4APDE4DPDE4BPDE4CKMT2A
SCHEMBL8889809 0.74 PDE4B (0.70) PDE4APDE4DPDE4BPDE4CPTAFR
SCHEMBL8890700 0.73 ALDH1A1 (0.57) CYP11B1CYP11B2PTAFRKMT2AUSP2

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed