SCHEMBL11095424

SCHEMBL11095424

COc1ccc(C2(C(=O)O)CCC(=O)CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.60
PDE4B Q07343 6/20 0.60
PDE4C Q08493 6/20 0.60
PDE4D Q08499 6/20 0.60
LMNA P02545 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SELP P16109 3/20 0.46
SELL P14151 2/20 0.46
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL77742 0.89 LMNA (0.65) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL9260618 0.86 LMNA (0.70) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL11096445 0.80 KMT2A (0.57) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4878231 0.78 HCAR2 (0.46) KMT2AMEN1
SCHEMBL31001015 0.78 KMT2A (0.52) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL11823849 0.77 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL30223686 0.77 LMNA (0.50) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL1721306 0.77 HTT (0.51) LMNAKMT2AMEN1L3MBTL1SELP
SCHEMBL19469640 0.77 AKR1C3 (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL1465577 0.77 LMNA (0.50) LMNAKMT2AMEN1L3MBTL1SELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 US disclosed