SCHEMBL19035407

SCHEMBL19035407

CCC(C)(CC)C(C)(CC)CN

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL20273156 0.84 CYP2D6 (0.35) CYP2D6TSHRTDP1
SCHEMBL14528615 0.83 CYP2D6 (0.39) CYP2D6TSHRTDP1
SCHEMBL6285811 0.80 TSHR (0.55) TSHRTDP1
SCHEMBL19677030 0.80 CYP2D6 (0.37) CYP2D6TSHRTDP1
SCHEMBL13154427 0.80 CYP2D6 (0.37) CYP2D6TSHRTDP1
SCHEMBL13154424 0.80 CYP2D6 (0.37) CYP2D6TSHRTDP1
SCHEMBL26726691 0.80 CYP2D6 (0.37) CYP2D6TSHRTDP1
SCHEMBL27848673 0.78 CYP2D6 (0.35) CYP2D6TSHRTDP1
SCHEMBL22844697 0.78 CYP2D6 (0.30) CYP2D6
SCHEMBL23425128 0.74 CYP2D6 (0.32) CYP2D6

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-9688794-B2 Tackifier compounds and methods of using the same IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2017-06-27 US disclosed