SCHEMBL28829329

SCHEMBL28829329

CC1=C(C)CC(C(=O)OCC(C)C)C(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.39
KMT2A Q03164 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL28829326 0.93 TSHR (0.39) ALDH1A1TSHRKMT2ARAB9AHSP90AA1
SCHEMBL1297747 0.80 RAB9A (0.42) ALDH1A1TSHRRAB9AHSP90AA1HSP90AB1
SCHEMBL2857782 0.80 RAB9A (0.42) ALDH1A1TSHRRAB9AHSP90AA1HSP90AB1
SCHEMBL1298024 0.80 RAB9A (0.42) ALDH1A1TSHRRAB9AHSP90AA1HSP90AB1
SCHEMBL1298020 0.80 RAB9A (0.42) ALDH1A1TSHRRAB9AHSP90AA1HSP90AB1
SCHEMBL10329700 0.80 RAB9A (0.42) ALDH1A1TSHRRAB9AHSP90AA1HSP90AB1
SCHEMBL1196147 0.79 TSHR (0.34) ALDH1A1TSHRRAB9AHSP90AA1HSP90AB1
SCHEMBL7285333 0.76 KMT2A (0.42) ALDH1A1TSHRKMT2ATAAR1POLB
SCHEMBL9004812 0.76 KMT2A (0.42) ALDH1A1TSHRKMT2ATAAR1POLB
SCHEMBL29262301 0.76 L3MBTL1 (0.43) ALDH1A1TSHRKMT2ATAAR1RAB9A

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-105504110-A Preparation method of catalyst solid component for olefin polymerization SHENHUA GROUP CORP LTD 2016-04-20 CN disclosed