SCHEMBL28068417

SCHEMBL28068417

CC(C)COC(=O)C1C=CC(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
HTT P42858 1/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAPDH P04406 1/20 0.32
HSPA1A P0DMV8 1/20 0.32
PTPN7 P35236 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
LMNA P02545 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
SCHEMBL28068409 0.83 PPARG (0.47) RAB9AALDH1A1TDP1LMNA
SCHEMBL11688026 0.80 PPM1B (0.46) TSHRALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL27478992 0.77 PPM1B (0.49) RAB9AALDH1A1NPC1CHRM2CHRM4
SCHEMBL27495069 0.77 TSHR (0.33) TSHR
SCHEMBL30901541 0.75 POLB (0.42) RAB9ATSHRALDH1A1NPC1CHRM2
SCHEMBL28068335 0.75 ALDH1A1 (0.46) RAB9ATSHRALDH1A1CHRM2CHRM4
SCHEMBL13042109 0.74 PPM1B (0.41) ALDH1A1HTTTDP1POLBAPEX1
SCHEMBL1297949 0.73 RAB9A (0.45) RAB9ATSHRALDH1A1NPC1CHRM2
SCHEMBL27712510 0.72 PPARG (0.48) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL28004197 0.72 PPARG (0.48) TSHRALDH1A1CHRM2CHRM4CHRM5

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