SCHEMBL7490651

SCHEMBL7490651

O=C(O)c1ccc(OCCc2cc3ccccc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MCL1 Q07820 1/20 0.46
PLA2G4B P0C869 1/20 0.45
AR P10275 1/20 0.45
SRD5A2 P31213 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
DAO P14920 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
PDGFRB P09619 4/20 0.44
PDGFRA P16234 4/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL6516521 0.86 MAPT (0.57) PKMMTNR1AMTNR1BKDM4EMAPT
SCHEMBL6519515 0.84 PPARG (0.55) MTNR1AMTNR1BARDRD2DRD3
SCHEMBL6523260 0.82 MTNR1A (0.43) MTNR1AMTNR1BMCL1ARDRD2
SCHEMBL6535392 0.80 RAB9A (0.48) MTNR1AMTNR1BARKDM4EMAPT
SCHEMBL6516755 0.79 ALDH1A1 (0.50) MTNR1AMTNR1BKDM4EMAPTHSD17B10
SCHEMBL8459724 0.79 ALDH1A1 (0.52) MTNR1AMTNR1BMCL1SRD5A2KDM4E
SCHEMBL6387984 0.79 MTNR1A (0.44) MTNR1AMTNR1BARDRD2DRD3
SCHEMBL6516292 0.78 FFAR1 (0.49) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL6536575 0.77 PPARG (0.66) MTNR1AMTNR1BKDM4EHSD17B10DRD3
SCHEMBL8459725 0.77 NPSR1 (0.58) MTNR1AMTNR1BSRD5A2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP disclosed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO disclosed