SCHEMBL8555547

SCHEMBL8555547

CCCc1cc2ccc(C(C(C)=O)C(=O)OC)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.46
MTNR1B P49286 5/20 0.46
EIF4A3 P38919 1/20 0.36
VCP P55072 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 4/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 4/20 0.34
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7417442 0.78 MTNR1A (0.41) MTNR1AMTNR1BEIF4A3VCPTSHR
SCHEMBL7420510 0.74 KMT2A (0.53) MTNR1AMTNR1BKDM4EHSD17B10HPGD
SCHEMBL7418770 0.72 MTNR1A (0.47) MTNR1AMTNR1BVCPKDM4EHSD17B10
SCHEMBL31397049 0.71 TAS1R3 (0.48) ALOX15MAPT
SCHEMBL5981755 0.69 CASP3 (0.51) MTNR1AMTNR1BKDM4EHSD17B10KDM5A
SCHEMBL7469548 0.68 KDM4E (0.42) MTNR1AMTNR1BKDM4EHSD17B10TSHR
SCHEMBL6797382 0.68 POLB (0.47) HSD17B10HPGDSMN1; SMN2
SCHEMBL7423385 0.68 MTNR1A (0.43) MTNR1AMTNR1BVCPKDM4EHSD17B10
SCHEMBL7418610 0.67 PPARG (0.48) MTNR1AMTNR1BKDM4EHSD17B10TSHR
SCHEMBL7411302 0.67 L3MBTL1 (0.48) MTNR1AMTNR1BKDM4EHSD17B10KDM5A

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
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed