SCHEMBL7359707

SCHEMBL7359707

CNCCc1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
ATM Q13315 1/20 0.68
RECQL P46063 1/20 0.55
PDE4B Q07343 7/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
EPHX1 P07099 1/20 0.51
PDE4A P27815 7/20 0.50
PDE4C Q08493 4/20 0.50
PDE4D Q08499 4/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13317191 0.86 RECQL (0.61) POLBRECQLPDE4BMEN1KMT2A
SCHEMBL8570021 0.83 MEN1 (0.61) RECQLPDE4BMEN1KMT2AEPHX1
SCHEMBL8567718 0.83 SMN1; SMN2 (0.55) RECQLPDE4BMEN1KMT2AEPHX1
SCHEMBL8571660 0.83 KMT2A (0.61) RECQLPDE4BMEN1KMT2AEPHX1
SCHEMBL7353001 0.83 KDM4E (0.66) ATMRECQLPDE4BMEN1KMT2A
SCHEMBL5610571 0.83 RECQL (0.61) POLBRECQLPDE4BPDE4APDE4C
SCHEMBL557799 0.82 ATM (1.00) POLBATMKMT2AMAPTLMNA
SCHEMBL30230461 0.82 ATM (1.00) POLBATMKMT2AMAPTLMNA
SCHEMBL8635081 0.82 ATM (1.00) POLBATMKMT2AMAPTLMNA
SCHEMBL7333965 0.82 PDE4B (0.56) RECQLPDE4BMEN1KMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710180-A TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1998-01-20 US disclosed
EP-0714397-A4 1996-06-26 EP disclosed
EP-0714397-A1 PHENETHYLAMINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-05 EP disclosed
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
WO-1995005386-A1 PHENETHYLAMINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-02-23 WO disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed