SCHEMBL19335293

SCHEMBL19335293

C=C(C)C(=O)OC(CC(C)C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL19335361 1.00 TSHR (0.36) TSHRCA1CA2MMP1MMP2
SCHEMBL19335296 1.00 TSHR (0.36) TSHRCA1CA2MMP1MMP2
SCHEMBL19335295 1.00 TSHR (0.36) TSHRCA1CA2MMP1MMP2
SCHEMBL19335362 0.99 TSHR (0.37) TSHRCA1CA2MMP1MMP2
SCHEMBL19335247 0.94 TSHR (0.38) TSHRCA1CA2MMP1MMP2
SCHEMBL868980 0.86 TSHR (0.31) TSHR
SCHEMBL254357 0.83 TSHR (0.42) TSHR
SCHEMBL20993963 0.83 TSHR (0.33) TSHR
SCHEMBL21122753 0.81 TSHR (0.39) TSHR
SCHEMBL469130 0.81 TSHR (0.39) TSHR

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-9760010-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-09-12 US disclosed