SCHEMBL4258260

SCHEMBL4258260

CC(=CCC(Oc1ccccc1)Oc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
AKR1C3 P42330 1/20 0.42
APEX1 P27695 6/20 0.39
CYP2C9 P11712 2/20 0.37
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
LDHA P00338 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
SCHEMBL690616 0.90 MTNR1A (0.39) MTNR1AMTNR1BAKR1C3APEX1PPARG
SCHEMBL691104 0.90 MTNR1A (0.39) MTNR1AMTNR1BAKR1C3APEX1PPARG
SCHEMBL6237193 0.85 MTNR1A (0.54) MTNR1AMTNR1BAKR1C3APEX1CYP2C9
SCHEMBL446022 0.85 MTNR1A (0.54) MTNR1AMTNR1BAKR1C3APEX1CYP2C9
SCHEMBL17556031 0.85 MTNR1A (0.43) MTNR1AMTNR1BAKR1C3APEX1CYP2C9
SCHEMBL15239094 0.83 MTNR1A (0.41) MTNR1AMTNR1BAKR1C3APEX1CYP2C9
SCHEMBL14718880 0.83 MTNR1A (0.41) MTNR1AMTNR1BAKR1C3APEX1CYP2C9
SCHEMBL18628049 0.83 SLC6A4 (0.45) MTNR1AMTNR1BAKR1C3
SCHEMBL15401581 0.81 MTNR1A (0.43) MTNR1AMTNR1BAKR1C3APEX1CYP2C9
SCHEMBL11638733 0.78 MTNR1A (0.38) MTNR1AMTNR1BPPARGPPARA

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
US-20090252932-A1 ACTINIC ENERGY RAY CURABLE RESION COMPOSITION AND USE THEREOF KURARAY CO., LTD. (JP) 2009-10-08 US disclosed
US-20050222293-A1 Curable resin composition, method for manufacture of laminate using the composition, transfer material, method for manufacture thereof and transferred product KURARAY CO., LTD. (JP) 2005-10-06 US disclosed