SCHEMBL7370670

SCHEMBL7370670

CCOC(=O)CCCOc1cc(Br)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
DHFR P00374 1/20 0.48
PTPN1 P18031 2/20 0.47
TNF P01375 2/20 0.47
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
HDAC1 Q13547 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46

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
SCHEMBL16334606 0.95 FDPS (0.51) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL3965845 0.90 FDPS (0.49) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL16607418 0.84 MEN1 (0.43) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL24384207 0.84 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DDHFR
SCHEMBL13215272 0.84 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DDHFR
SCHEMBL17821696 0.83 FDPS (0.58) PDE4APDE4BPDE4CPDE4DDHFR
SCHEMBL5550248 0.83 PTGDR2 (0.57) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL4506605 0.82 CYP4F2 (0.48) TNFALDH1A1MEN1KMT2ACYP1A2
SCHEMBL27921658 0.81 LMNA (0.59) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL24384026 0.81 CCR5 (0.49) PDE4APDE4BPDE4CPDE4DPTPN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814651-A PHOSPHODIESTERASE TYPE FOUR INHIBITORS PFIZER INC. (US) 1998-09-29 US disclosed
US-5563143-A ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISORDERS PFIZER INC. (US) 1996-10-08 US disclosed
EP-0706795-A2 Catechol diether compounds as inhibitors of TNF release PFIZER INC. (US) 1996-04-17 EP disclosed
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed