SCHEMBL9254938

SCHEMBL9254938

Oc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.58
PDE4B Q07343 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
ALOX5 P09917 2/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
BCL2L1 Q07817 1/20 0.45
HDAC4 P56524 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ESR2 Q92731 2/20 0.37
HTT P42858 2/20 0.37
GPR35 Q9HC97 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL21382004 0.81 BACE1 (0.65) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL9236954 0.79 BACE1 (0.62) BACE1PDE4BPDE4APDE4CPDE4D
Phosphine SCHEMBL1744080 0.79 BACE1 (0.62) BACE1PDE4BPDE4APDE4CPDE4D
Methane SCHEMBL28838467 0.79 BACE1 (0.62) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL28096487 0.79 BACE1 (0.62) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL24063357 0.79 BACE1 (0.62) BACE1PDE4BPDE4APDE4CPDE4D
Ethylene SCHEMBL28403381 0.78 BACE1 (0.60) BACE1PDE4BPDE4APDE4CPDE4D
Ethane SCHEMBL27486393 0.78 BACE1 (0.60) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL31087300 0.76 BACE1 (0.52) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL49916 0.76 BACE1 (0.58) BACE1PDE4BPDE4APDE4CPDE4D

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
EP-0487524-A1 METHOD AND APPARATUS FOR DETERMINING NON-TRIGLYCERIDES IN OILS. LIBRA LAB INC (US) 1992-06-03 EP claimed
EP-0487524-A4 METHOD AND APPARATUS FOR DETERMINING NON-TRIGLYCERIDES IN OILS. LIBRA LAB INC (US) 1991-11-26 EP claimed
US-5055410-A Colorimetric analysis;detecting reaction product of indicator and contaminants LIBRA LABORATORIES, INC. (US) 1991-10-08 US claimed
WO-1990010218-A1 METHOD AND APPARATUS FOR DETERMINING NON-TRIGLYCERIDES IN OILS LIBRA LABORATORIES, INC. (US) 1990-09-07 WO claimed
EP-0487524-B1 METHOD AND APPARATUS FOR DETERMINING NON-TRIGLYCERIDES IN OILS LIBRA LAB INC (US) 1995-05-10 EP disclosed