SCHEMBL7417442

SCHEMBL7417442

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 3/20 0.41
EIF4A3 P38919 1/20 0.39
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 4/20 0.34
ALOX15 P16050 1/20 0.34
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
VCP P55072 1/20 0.33
PTGS1 P23219 2/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL8555547 0.78 MTNR1A (0.46) MTNR1AMTNR1BEIF4A3L3MBTL1ALOX15
SCHEMBL7423385 0.75 MTNR1A (0.43) MTNR1AMTNR1BALOX15KDM5AKDM5B
SCHEMBL5981755 0.69 CASP3 (0.51) MTNR1AMTNR1BTDP1KDM5AKDM5B
SCHEMBL7420510 0.69 KMT2A (0.53) MTNR1AMTNR1BL3MBTL1
SCHEMBL7469548 0.68 KDM4E (0.42) MTNR1AMTNR1BL3MBTL1ALOX15TSHR
SCHEMBL4694517 0.68 TDP1 (0.71) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
SCHEMBL10633957 0.68 TDP1 (0.71) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
SCHEMBL7418610 0.67 PPARG (0.48) MTNR1AMTNR1BAKR1C3AKR1C2TDP1
SCHEMBL7418770 0.67 MTNR1A (0.47) MTNR1AMTNR1BALOX15VCPCYP1A2
SCHEMBL10646766 0.66 KDM4E (0.47) MTNR1AMTNR1BKDM5AKDM5BVCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed