SCHEMBL8169795

SCHEMBL8169795

O=Cc1ccc(OC(F)F)c2oc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
DRD1 P21728 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP17A1 P05093 1/20 0.36
CDC14B O60729 1/20 0.36
CDC14A Q9UNH5 1/20 0.36
KDM4E B2RXH2 3/20 0.35
THRB P10828 1/20 0.35
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
MAOA P21397 4/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PTPN1 P18031 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
SCHEMBL5016468 0.86 CYP19A1 (0.47) PDE4BNPC1RAB9ACYP19A1CYP11B1
SCHEMBL2556065 0.82 PDE4B (0.43) PDE4BCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL14308379 0.82 SMN1; SMN2 (0.37) PDE4BNPC1RAB9AKDM4EPDE4D
SCHEMBL2562661 0.82 PDE4B (0.52) PDE4BCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL1647979 0.82 MAOA (0.52) PDE4BNPC1RAB9ACYP19A1CYP11B1
SCHEMBL6111442 0.81 PDE4B (0.41) PDE4BDRD1NPC1RAB9ACYP19A1
SCHEMBL7970312 0.80 PDE4B (0.36) PDE4BNPC1RAB9APDE4DPDE4A
SCHEMBL2792898 0.80 PDE4A (0.32) PDE4BPDE4DPDE4APDE4C
SCHEMBL1302395 0.78 PTPN1 (0.44) RAB9AALDH1A1MAPTPTPN1LMNA
SCHEMBL5022652 0.78 CYP19A1 (0.47) NPC1RAB9ACYP19A1CYP11B1CYP11B2

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-2008065522-A2 PROCESS FOR THE SYNTHESIS OF 4-DIFLUOROMETHOXY-8-NITRO-1-FORMYL DIBENZO[B,D] FURAN-AN INTERMEDIATE FOR PDE IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-06-05 WO disclosed