SCHEMBL20143695

SCHEMBL20143695

CC(C)C(=O)NC(C)(C)CC(C)(C)N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 1/20 0.31
PIK3CD O00329 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL27264586 0.87 PIK3CD (0.34) TSHRPOLBPIK3CDSMN1; SMN2ALDH1A1
SCHEMBL20710372 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9891903 0.83 POLB (0.44) TSHRPOLBPIK3CDSMN1; SMN2ALDH1A1
SCHEMBL21843120 0.81 POLB (0.31) POLB
SCHEMBL21843089 0.81 REN (0.32)
SCHEMBL25620919 0.79 PIK3CD (0.34) TSHRPOLBPIK3CD
SCHEMBL19245616 0.79 DPP4 (0.32) TSHRPOLBPIK3CD
SCHEMBL27264484 0.79 POLB (0.31) TSHRPOLBPIK3CD
SCHEMBL23818386 0.78 EPHX1 (0.32) POLB
SCHEMBL14339718 0.76 POLB (0.33) POLB

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-9971306-B2 Coating of surfaces intended for horology by using catanionic compositions containing phosphonic molecules and amines ASSOCIATION SUISSE POUR LA RECHERCHE HORLOGÈRE (CH) 2018-05-15 US disclosed