SCHEMBL13639007

SCHEMBL13639007

CCCC(OC(=O)c1ccccc1)[C@@H](C)C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 4/20 0.46
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
PRKCA P17252 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
CTSK P43235 4/20 0.41

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
SCHEMBL1786404 0.87 LMNA (0.51) TSHRTP53LMNAPDCD1CD274
SCHEMBL1784670 0.84 LMNA (0.49) TSHRTP53LMNAPDCD1CD274
SCHEMBL31147022 0.83 LMNA (0.47) TSHRTP53LMNAPDCD1CD274
SCHEMBL1783061 0.83 LMNA (0.47) TSHRTP53LMNAPDCD1CD274
SCHEMBL1784284 0.83 LMNA (0.50) TSHRTP53LMNAPDCD1CD274
SCHEMBL29669540 0.81 MEN1 (0.51) TSHRTP53LMNAPDCD1CD274
SCHEMBL1784872 0.81 LMNA (0.49) TSHRTP53LMNAPDCD1CD274
SCHEMBL31147035 0.81 LMNA (0.45) TSHRTP53LMNAPDCD1CD274
SCHEMBL30285726 0.80 LMNA (0.47) TSHRTP53LMNAPDCD1CD274
SCHEMBL1782196 0.80 LMNA (0.51) TSHRTP53LMNAPDCD1CD274

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
US-8304562-B2 Method for preparing prostaglandin derivative SUCAMPO AG (CH) 2012-11-06 US disclosed