SCHEMBL20111699

SCHEMBL20111699

CCCCC(C)(C)C1CCCN(C(C)(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL23177961 0.83 ATM (0.40) MEN1POLBMAPTKMT2ACYP1A2
SCHEMBL23153239 0.82
SCHEMBL21706267 0.81
SCHEMBL22652602 0.78
SCHEMBL26316899 0.77 GNAO1 (0.38)
SCHEMBL25136569 0.77
SCHEMBL22166434 0.76
SCHEMBL2601347 0.75
SCHEMBL2614325 0.75
SCHEMBL18327050 0.75

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
WO-2018078360-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2018-05-03 WO disclosed