SCHEMBL5989965

SCHEMBL5989965

Cc1cc(O)cc2occ(-c3ccccc3)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
HPGD P15428 6/20 0.60
MAPT P10636 6/20 0.60
HSD17B10 Q99714 5/20 0.60
TP53 P04637 5/20 0.60
ALOX15 P16050 4/20 0.60
CYP3A4 P08684 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
USP2 O75604 2/20 0.60
ALOX12 P18054 2/20 0.60
BRCA1 P38398 1/20 0.60
BLM P54132 1/20 0.60
SIRT1 Q96EB6 1/20 0.55
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 4/20 0.50
POLB P06746 4/20 0.50
ESR2 Q92731 3/20 0.50

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
SCHEMBL4464671 0.88 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL3611718 0.83 THRB (0.50) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL5989739 0.78 MAPT (0.63) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL678215 0.77 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL30231625 0.77 MAP1LC3B (0.74) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL11547196 0.76 THRB (0.46) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
5,7-Dihydroxyisoflavone SCHEMBL1586459 0.75 MEN1 (1.00) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL12184598 0.74 SIRT1 (0.79) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL10623004 0.73 SMN1; SMN2 (0.94) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL6266319 0.72 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed