SCHEMBL29951620

SCHEMBL29951620

CCCC1(C)CC1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
CD81 P60033 1/20 0.33
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM4 Q14833 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3147541 0.82
SCHEMBL21604300 0.78 ALDH1A1 (0.32) MEN1ALDH1A1KMT2A
SCHEMBL3880026 0.77
SCHEMBL6268424 0.76 APLNR (0.34) APLNRMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL2211209 0.75 CD81 (0.45) APLNRCD81MEN1ALDH1A1KMT2A
SCHEMBL20519696 0.69 APLNR (0.34) APLNRCD81SLC1A2SLC1A1ALDH1A1
SCHEMBL31265547 0.68 MGLL (0.31)
SCHEMBL294740 0.68
SCHEMBL2897770 0.68
SCHEMBL2681249 0.68

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed