SCHEMBL6970951

SCHEMBL6970951

COC(=O)NCC(C)(C)[C]=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
TSHR P16473 1/20 0.34
TET2 Q6N021 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4730960 0.77 EPHX1 (0.41) EPHX1TSHRTET2SMN1; SMN2
SCHEMBL15033686 0.75 EPHX1 (0.40) EPHX1TSHRTET2
SCHEMBL15614667 0.73 EPHX1 (0.39) EPHX1TSHRTET2SMN1; SMN2
SCHEMBL14930633 0.73 EPHX1 (0.39) EPHX1TSHRTET2
SCHEMBL22680370 0.73 EPHX1 (0.39) EPHX1TSHRTET2
SCHEMBL7290046 0.72 CYP2D6 (0.36)
SCHEMBL28649387 0.71 EPHX1 (0.38) EPHX1TSHRTET2
SCHEMBL11622228 0.70 EPHX1 (0.40) EPHX1TSHRTET2SMN1; SMN2
SCHEMBL9089174 0.70 EPHX1 (0.40) EPHX1TSHRTET2SMN1; SMN2
SCHEMBL13037023 0.70 KDM4E (0.40) EPHX1TSHRTET2SMN1; SMN2

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed