SCHEMBL28620729

SCHEMBL28620729

CC(C)COC(=O)C1C(C)CCC(C)C1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 3/20 0.42
PTPN1 P18031 3/20 0.42
PPP1CC P36873 3/20 0.42
RAB9A P51151 3/20 0.42
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.36
TSHR P16473 4/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PPP5C P53041 1/20 0.33
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1195465 0.93 TSHR (0.39) PPM1BPTPN1PPP1CCRAB9AHSP90AA1
SCHEMBL1196653 0.86 RAB9A (0.41) PPM1BPTPN1PPP1CCRAB9AHSP90AA1
SCHEMBL1196125 0.83 HSP90AA1 (0.36) PPM1BPTPN1PPP1CCRAB9AHSP90AA1
SCHEMBL1197306 0.82 PPM1B (0.33) PPM1BPTPN1PPP1CCRAB9AHSP90AA1
SCHEMBL1196473 0.82 TSHR (0.39) RAB9AHSP90AA1HSP90AB1NPC1ALDH1A1
SCHEMBL1195936 0.80 PPM1B (0.33) PPM1BPTPN1PPP1CCRAB9AHSP90AA1
SCHEMBL13517785 0.79 RAB9A (0.56) PPM1BPTPN1PPP1CCRAB9AHSP90AA1
SCHEMBL13517166 0.78 HSP90AA1 (0.39) PPM1BPTPN1PPP1CCRAB9AHSP90AA1
SCHEMBL14874427 0.77 TSHR (0.42) PPM1BPTPN1PPP1CCRAB9AHSP90AA1
SCHEMBL14874426 0.77 TSHR (0.42) PPM1BPTPN1PPP1CCRAB9AHSP90AA1

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
CN-108219295-B Polypropylene composition, polypropylene sheet and process for producing the same, and secondary molded article 富比食品包装有限公司 2021-09-07 CN disclosed