SCHEMBL7566103

SCHEMBL7566103

COc1cccc(CC2CCCCNC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.53
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
ROCK2 O75116 1/20 0.45
HTR1B P28222 1/20 0.43
GAA P10253 1/20 0.43
ALPL P05186 1/20 0.43
CMA1 P23946 1/20 0.43
PDE4D Q08499 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL27343744 0.91 EED (0.53) EEDPSEN1PSEN2APH1BNCSTN
SCHEMBL28025688 0.84 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8065224 0.81 CA1 (0.57) EEDALDH1A1KMT2AROCK2GAA
SCHEMBL8065454 0.81 CA1 (0.57) EEDALDH1A1KMT2AROCK2GAA
SCHEMBL3144588 0.81 CA1 (0.57) EEDALDH1A1KMT2AROCK2GAA
SCHEMBL19050086 0.81 EED (0.53) EEDALDH1A1ROCK2GAACMA1
SCHEMBL30825624 0.80 CA1 (0.56) EEDALDH1A1KMT2APOLBROCK2
SCHEMBL7485547 0.80 CA1 (0.56) EEDALDH1A1KMT2APOLBROCK2
SCHEMBL30825568 0.80 CA1 (0.56) EEDALDH1A1KMT2APOLBROCK2
SCHEMBL8186635 0.80 ESR1 (0.48) HTR1B

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
EP-3924160-A1 FORMULATIONS CAPABLE OF REACTING WITH OR REMOVAL OF MOLECULAR OXYGEN Finite Research Ltd (GB) 2021-12-22 EP disclosed
WO-2020154728-A1 FORMULATIONS CAPABLE OF REACTING WITH OR REMOVAL OF MOLECULAR OXYGEN LI SHENSHEN (US) 2020-07-30 WO disclosed
WO-2002079147-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-10-10 WO disclosed
WO-2000034437-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-06-15 WO disclosed