SCHEMBL25708153

SCHEMBL25708153

CCC(C)c1ccc(N2C(=O)/C(=N/C(=O)OC)c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ACE P12821 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
LMNA P02545 2/20 0.41
ABCB1 P08183 5/20 0.40
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
KCNA5 P22460 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
GALR3 O60755 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL25706963 0.86 MAPT (0.50) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL25707355 0.84 MAPT (0.60) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL24049866 0.81 KMT2A (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL25708310 0.78 MAPT (0.51) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL25706962 0.72 KMT2A (0.60) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL25706934 0.71 KMT2A (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL25707007 0.69 MAPT (0.45) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL25707363 0.68 ALDH1A1 (0.57) MAPTKMT2AALDH1A1CYP2C19NPSR1
SCHEMBL25706957 0.67 KMT2A (0.56) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL17954554 0.67 ALDH1A1 (0.39) ALDH1A1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183391-A1 BIOMASS DERIVED DIKETONES AS EFFICIENT VISIBLE LIGHT PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2023-06-15 US disclosed