SCHEMBL14718880

SCHEMBL14718880

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
AKR1C3 P42330 1/20 0.39
APEX1 P27695 2/20 0.36
LTB4R Q15722 3/20 0.36
LTB4R2 Q9NPC1 3/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP2C9 P11712 2/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
FFAR1 O14842 1/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4258260 0.83 MTNR1A (0.44) MTNR1AMTNR1BAKR1C3APEX1CYP2C9
SCHEMBL6237193 0.81 MTNR1A (0.54) MTNR1AMTNR1BAKR1C3APEX1LTB4R
SCHEMBL446022 0.81 MTNR1A (0.54) MTNR1AMTNR1BAKR1C3APEX1LTB4R
SCHEMBL17556031 0.81 MTNR1A (0.43) MTNR1AMTNR1BAKR1C3APEX1CYP2C9
SCHEMBL15239094 0.79 MTNR1A (0.41) MTNR1AMTNR1BAKR1C3APEX1LTB4R
SCHEMBL18628049 0.79 SLC6A4 (0.45) MTNR1AMTNR1BAKR1C3LTB4RLTB4R2
SCHEMBL15401581 0.78 MTNR1A (0.43) MTNR1AMTNR1BAKR1C3APEX1LTB4R
SCHEMBL691104 0.77 MTNR1A (0.39) MTNR1AMTNR1BAKR1C3APEX1LTB4R
SCHEMBL690616 0.77 MTNR1A (0.39) MTNR1AMTNR1BAKR1C3APEX1LTB4R
SCHEMBL7077534 0.75 HSD17B10 (0.38) CYP1A2CYP2C19

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-20130049264-A1 PROCESS FOR PRODUCING FLEXOGRAPHIC PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, FLEXOGRAPHIC PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR MAKING FLEXOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2013-02-28 US disclosed