SCHEMBL8313413

SCHEMBL8313413

CC1(C)CCC(C)(C)c2cc3c(cc21)CCC3=CC#N

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL8311237 0.91 RXRA (0.32)
SCHEMBL8312121 0.77
SCHEMBL31028079 0.72 CYP19A1 (0.53)
SCHEMBL4688774 0.72 CYP19A1 (0.56) ALDH1A1MAPT
SCHEMBL31028072 0.72 CYP19A1 (0.56) ALDH1A1MAPT
SCHEMBL4688568 0.72 CYP19A1 (0.56) ALDH1A1MAPT
SCHEMBL4688567 0.72 CYP19A1 (0.56) ALDH1A1MAPT
SCHEMBL8309668 0.72 TP53 (0.36)
SCHEMBL7953943 0.71 MAPT (0.50) ALDH1A1MAPTMAPK1
SCHEMBL7953939 0.71 MAPT (0.50) ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933351-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
EP-0933350-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed