SCHEMBL21101372

SCHEMBL21101372

CC1(C)CC(NC(=O)Oc2c(F)c(F)c(OC(=O)NC3CC(C)(C)CC(C)(CNC(=O)OCC4CO4)C3)c(F)c2F)CC(C)(CNC(=O)OCC2CO2)C1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL18419018 0.91 TSHR (0.47) TSHRTDP1
SCHEMBL679176 0.89 TSHR (0.67) TSHRTDP1ALDH1A1
SCHEMBL18419017 0.87 TSHR (0.57) TSHRTDP1ALDH1A1
SCHEMBL13573771 0.81 TSHR (0.57) TSHRALDH1A1
SCHEMBL12367256 0.79 TSHR (0.52) TSHRTDP1
SCHEMBL13573753 0.78 TSHR (0.54) TSHRALDH1A1
SCHEMBL19344489 0.77 TSHR (0.58) TSHRTDP1
SCHEMBL1022340 0.77 TSHR (0.60) TSHRTDP1
SCHEMBL1021679 0.77 TSHR (0.60) TSHRTDP1
SCHEMBL16846588 0.76 TSHR (0.49) TSHRALDH1A1

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-10322069-B2 Restorative resin compositions and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-06-18 US disclosed