SCHEMBL3699529

SCHEMBL3699529

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IAPP P10997 2/20 0.48
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KLK7 P49862 1/20 0.42
MTNR1A P48039 2/20 0.41
SYK P43405 1/20 0.41
F2RL1 P55085 1/20 0.41
FPR1 P21462 1/20 0.41
EDNRB P24530 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
PPARA Q07869 1/20 0.40
BACE1 P56817 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3691344 0.90 IAPP (0.48) IAPPKMT2APPARA
SCHEMBL3691581 0.87 IAPP (0.58) IAPPKMT2AMEN1KDM4EALDH1A1
SCHEMBL3692509 0.85 ALOX5 (0.44) IAPPKMT2AMEN1MTNR1AL3MBTL1
SCHEMBL17244703 0.79 IAPP (0.55) IAPPMTNR1A
SCHEMBL3698568 0.74 IAPP (0.61) IAPPHPGDPPARA
SCHEMBL3694985 0.73 IAPP (0.64) IAPPPPARA
SCHEMBL30800373 0.72 MTNR1A (0.60) MTNR1A
SCHEMBL7331644 0.72 MTNR1A (0.60) MTNR1A
SCHEMBL18602102 0.72 SYK (0.61) KMT2AMEN1ALDH1A1SYKNPC1
SCHEMBL7333227 0.71 CA12 (0.54) IAPPKMT2AMEN1ALDH1A1

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