SCHEMBL20544118

SCHEMBL20544118

N#CCC(SCC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.51
ALKBH5 Q6P6C2 1/20 0.44
CDC25B P30305 3/20 0.41
ALDH1A1 P00352 4/20 0.40
FFAR1 O14842 1/20 0.39
SLC6A3 Q01959 1/20 0.38
PAM P19021 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
S100A4 P26447 1/20 0.37
MAP2K7 O14733 1/20 0.36
CDC25A P30304 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PBRM1 Q86U86 1/20 0.36

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
SCHEMBL7254896 0.83 ALDH1A1 (0.45) PDPK1ALDH1A1SLC6A3SMN1; SMN2TSHR
SCHEMBL15265172 0.75 LMNA (0.36) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL15266536 0.75 CA12 (0.40) ALDH1A1SLC6A3SMN1; SMN2TSHRKMT2A
SCHEMBL20544211 0.75 PDPK1 (0.60) PDPK1ALKBH5CDC25BALDH1A1FFAR1
SCHEMBL20544076 0.74 APAF1 (0.37) LMNAMAPTPBRM1
SCHEMBL2577670 0.72 SLC6A3 (0.65) PDPK1ALKBH5ALDH1A1FFAR1SLC6A3
SCHEMBL6232946 0.72 ALKBH5 (0.53) PDPK1ALKBH5CDC25BALDH1A1FFAR1
SCHEMBL7606395 0.72 MAPT (0.52) PDPK1ALKBH5ALDH1A1FFAR1MEN1
SCHEMBL32672488 0.72 PBRM1 (0.39) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL10795017 0.71 PDPK1 (0.49) PDPK1ALKBH5ALDH1A1SLC6A3TSHR

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-2828240-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE PERFUMING MOLECULES FIRMENICH & CIE (CH) 2018-10-31 EP claimed