SCHEMBL19286642

SCHEMBL19286642

CCC(S)C(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL16979290 0.79 RNPEP (0.32) ACERNPEP
SCHEMBL6535500 0.79 PRKCA (0.33) RNPEP
SCHEMBL25862178 0.77 MME (0.34) MMEACECPA1ACE2RNPEP
SCHEMBL22879283 0.73
SCHEMBL8460018 0.72 TSHR (0.35) TSHRCA2MAPK1
SCHEMBL14519715 0.72 CA2 (0.42) TSHRCA2MAPK1
SCHEMBL739204 0.70 TSHR (0.39) TSHR
SCHEMBL12074463 0.70 TSHR (0.33) TSHRCA2MAPK1
SCHEMBL1709308 0.70 TSHR (0.33) TSHRCA2MAPK1
SCHEMBL8906611 0.70 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-9744147-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2017-08-29 US disclosed