SCHEMBL13612547

SCHEMBL13612547

CC(=O)C1CC(C)(C)C[C@H]1C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.48
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8522673 0.77 APLNR (0.62) APLNRALOX15
SCHEMBL15116745 0.77
SCHEMBL22236898 0.74 EPHX1 (0.33) APLNR
SCHEMBL18569711 0.72 APLNR (0.56) APLNRSMN1; SMN2
SCHEMBL13612545 0.70
SCHEMBL14552089 0.70 APLNR (0.42) APLNR
Ammonia Solution, Strong SCHEMBL28239940 0.70 APLNR (0.42) APLNR
SCHEMBL24119156 0.69 APLNR (0.32) APLNR
SCHEMBL21963687 0.69 APLNR (0.32) APLNR
SCHEMBL24119157 0.69 APLNR (0.32) APLNR

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-7635694-B2 For treating hepatitis C and related disorders such as HIV, AIDS (Acquired Immune Deficiency Syndrome) SCHERING CORPORATION (US) 2009-12-22 US disclosed