SCHEMBL3698568

SCHEMBL3698568

CCCC(=O)CCc1cccc(O)c1-c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 5/20 0.61
LTB4R Q15722 5/20 0.40
LTB4R2 Q9NPC1 5/20 0.40
HPGD P15428 1/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL3694985 0.89 IAPP (0.64) IAPPBIDMCL1BCL2L1BAK1
SCHEMBL3691581 0.84 IAPP (0.58) IAPPHPGDMAPT
SCHEMBL3691344 0.84 IAPP (0.48) IAPPLTB4RLTB4R2PPARA
SCHEMBL3686569 0.81 IAPP (0.57) IAPP
SCHEMBL8005173 0.76 IAPP (0.75) IAPPBIDMCL1BCL2L1BAK1
SCHEMBL3699529 0.74 IAPP (0.48) IAPPHPGDPPARA
SCHEMBL6957846 0.71 HPGD (0.60) IAPPHPGDLMNAHTR7
SCHEMBL27864721 0.70 AR (0.43) HPGDBCL2L1LMNAMAPTHIF1A
SCHEMBL982273 0.70 ELANE (0.45) IAPPBIDMCL1BCL2L1BAK1
SCHEMBL29138358 0.68 ELANE (0.46) IAPPBIDMCL1BCL2L1BAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227449-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY Pulkkinen, Juha (FI) 2010-09-15 EP disclosed
WO-2009066008-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 WO disclosed