SCHEMBL19903775

SCHEMBL19903775

CCN(CC(C)C)C(C)CO

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
FDPS P14324 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7056685 0.87 TSHR (0.44) TSHRCA12CA1CA2CA9
SCHEMBL15317975 0.84
SCHEMBL8707 0.84
SCHEMBL10673601 0.84
SCHEMBL30353890 0.83 TDP1 (0.41) TSHRFDPSTDP1
Hydrochloric Acid SCHEMBL10594297 0.81 TSHR (0.37) TSHRFDPSTDP1
Hydrochloric Acid SCHEMBL10674883 0.81 TSHR (0.37) TSHRFDPSTDP1
SCHEMBL28243404 0.81 TSHR (0.37) TSHRFDPSTDP1
SCHEMBL25685120 0.81 ALDH1A1 (0.35) TDP1
SCHEMBL26045938 0.79

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-2804861-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS GENOSCO (US) 2018-02-28 EP disclosed