SCHEMBL6301896

SCHEMBL6301896

COc1ccc(CC2CCCO2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 2/20 0.50
USP2 O75604 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9336828 0.95 HPGD (0.50) HPGDSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL11242352 0.81 SMN1; SMN2 (0.55) HPGDSMN1; SMN2L3MBTL1ALDH1A1HTT
SCHEMBL4821864 0.80 PKM (0.49) ALDH1A1
SCHEMBL28335303 0.80 PKM (0.49) ALDH1A1
SCHEMBL22639694 0.80 KMT2A (0.66) HPGDSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL22640066 0.80 KMT2A (0.66) HPGDSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL10791772 0.77 GAA (0.44) SMN1; SMN2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL1129756 0.77 KMT2A (0.62) HPGDSMN1; SMN2L3MBTL1ALDH1A1HTT
SCHEMBL27871762 0.77 ALDH1A1 (0.46) SMN1; SMN2L3MBTL1ALDH1A1LMNATDP1
SCHEMBL2042093 0.77 RAB9A (0.50) HPGDSMN1; SMN2ALDH1A1RAB9A

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-6967205-B1 Compounds with antibacterial and antiparasitic properties NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-11-22 US disclosed