SCHEMBL8779344

SCHEMBL8779344

CCC(C)c1ccc(-c2coc(=O)o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL14775224 0.73 LMNA (0.42) TSHRALDH1A1TNKSPARP1TNKS2
SCHEMBL9339775 0.72 ALDH1A1 (0.47) CYP2C9TSHRALDH1A1NPSR1USP2
SCHEMBL598140 0.70 ALDH1A1 (0.52) CYP2C9NPC1RAB9ATSHRALDH1A1
SCHEMBL575173 0.69 CTRC (0.48) CYP2C9NPC1RAB9ATSHRALDH1A1
Hydrogen Peroxide SCHEMBL9339800 0.68 ALDH1A1 (0.53) CYP2C9TSHRALDH1A1NPSR1USP2
Hydrogen Peroxide SCHEMBL9344179 0.68 ALDH1A1 (0.53) CYP2C9TSHRALDH1A1NPSR1USP2
SCHEMBL9340481 0.67 ALDH1A1 (0.43) CYP2C9TSHRALDH1A1NPSR1USP2
Hydrogen Peroxide SCHEMBL11434421 0.65 ALDH1A1 (0.59) CYP2C9NPC1RAB9ATSHRALDH1A1
SCHEMBL16687011 0.65 GRIA4 (0.51) TSHRALDH1A1
SCHEMBL14648925 0.65 ALDH1A1 (0.42) CYP2C9NPC1RAB9ATSHRALDH1A1

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-0396364-B1 Copolymers of vinyl carbonate and vinyl carbamate as contact lens material BAUSCH & LOMB (US) 1997-06-11 EP claimed