SCHEMBL20008236

SCHEMBL20008236

CCCC[C@@H](C(C)CC)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
DNM1 Q05193 2/20 0.32
MAPK1 P28482 1/20 0.31
OPRM1 P35372 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
SCHEMBL20145298 0.86
SCHEMBL23463737 0.86
SCHEMBL21431099 0.81 DNM1 (0.35) ALDH1A1TDP1CA2CA1TSHR
SCHEMBL23901850 0.81 DNM1 (0.35) ALDH1A1TDP1CA2CA1TSHR
SCHEMBL17974411 0.79 DNM1 (0.33) ALDH1A1TDP1DNM1OPRM1
SCHEMBL24703744 0.78
SCHEMBL26399662 0.78
SCHEMBL27614168 0.75 CA2 (0.32) CA2CA1MAPK1
SCHEMBL23901837 0.74 OPRM1 (0.42) CA1TSHRDNM1OPRM1
SCHEMBL10442026 0.73 ALDH1A1 (0.33) ALDH1A1CA2CA1DNM1MAPK1

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed