SCHEMBL18534201

SCHEMBL18534201

SC12CCCC=C1CCC2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22504921 0.69
SCHEMBL5470324 0.67 HCAR2 (0.30)
SCHEMBL15525612 0.67 MEN1 (0.39) CYP19A1MEN1KMT2A
SCHEMBL6390512 0.67 MEN1 (0.32) MEN1KMT2A
SCHEMBL14746305 0.67 HCAR2 (0.33) CYP19A1MEN1KMT2A
SCHEMBL10430415 0.65
SCHEMBL20899511 0.63 HCAR2 (0.34)
SCHEMBL8920955 0.62 MEN1 (0.39) MEN1KMT2A
SCHEMBL5803225 0.61 AKR1C1 (0.46) MEN1KMT2A
SCHEMBL6461884 0.61 CYP19A1 (0.33) CYP19A1

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
EP-2116302-B1 Catalyst complex with a heterocyclic carbene ligand UNIV OF NEW ORLEANS FOUND (US) 2017-02-22 EP disclosed